[[[di(propan-2-yl)amino]methyl-[[[di(propan-2-yl)amino]methylamino]methyl]amino]methyl-methylamino]methanol

C18H43N5O — CID 146723163

IUPAC[[[di(propan-2-yl)amino]methyl-[[[di(propan-2-yl)amino]methylamino]methyl]amino]methyl-methylamino]methanol
SMILESCC(C)N(CNCN(CN(C)CO)CN(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C18H43N5O/c1-15(2)22(16(3)4)11-19-10-21(12-20(9)14-24)13-23(17(5)6)18(7)8/h15-19,24H,10-14H2,1-9H3
InChIKeyRFJNBOLBDRHDRM-UHFFFAOYSA-N
MW345.58 g/mol
LogP1.83
Rot. Bonds13

About [[[di(propan-2-yl)amino]methyl-[[[di(propan-2-yl)amino]methylamino]methyl]amino]methyl-methylamino]methanol

[[[di(propan-2-yl)amino]methyl-[[[di(propan-2-yl)amino]methylamino]methyl]amino]methyl-methylamino]methanol (PubChem CID 146723163) has the molecular formula C18H43N5O and a molecular weight of 345.58 g/mol. Its IUPAC name is [[[di(propan-2-yl)amino]methyl-[[[di(propan-2-yl)amino]methylamino]methyl]amino]methyl-methylamino]methanol.

Molecular Properties

Compound Name[[[di(propan-2-yl)amino]methyl-[[[di(propan-2-yl)amino]methylamino]methyl]amino]methyl-methylamino]methanol
PubChem CID146723163
Molecular FormulaC18H43N5O
Molecular Weight345.58 g/mol
Exact Mass345.35
IUPAC Name[[[di(propan-2-yl)amino]methyl-[[[di(propan-2-yl)amino]methylamino]methyl]amino]methyl-methylamino]methanol
SMILESCC(C)N(CNCN(CN(C)CO)CN(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C18H43N5O/c1-15(2)22(16(3)4)11-19-10-21(12-20(9)14-24)13-23(17(5)6)18(7)8/h15-19,24H,10-14H2,1-9H3
InChIKeyRFJNBOLBDRHDRM-UHFFFAOYSA-N
XLogP1.83
TPSA45.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.58
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[[Ethyl(propan-2-yl)amino]methylamino]methanol
CID 59875134
[Bis(ditert-butylamino)methyl-[[bis(ditert-butylamino)methyl-[[bis(ditert-butylamino)methylamino]methyl]amino]methyl]amino]methanol
CID 118552903
[(Ditert-butylamino)methyl-[[(ditert-butylamino)methyl-[[(ditert-butylamino)methylamino]methyl]amino]methyl]amino]methanol
CID 118552904
[[Bis(ditert-butylamino)methyl-[[bis(ditert-butylamino)methylamino]methyl]amino]methyl-methylamino]methanol
CID 118601912
[[(Ditert-butylamino)methyl-[[(ditert-butylamino)methylamino]methyl]amino]methyl-methylamino]methanol
CID 118601914
[[Bis(ditert-butylamino)methyl-[[bis(ditert-butylamino)methylamino]methyl]amino]methyl-[[tert-butyl(propan-2-yl)amino]-(ditert-butylamino)methyl]amino]methanol
CID 122575707
[Bis(ditert-butylamino)methyl-[[bis(ditert-butylamino)methyl-[[[[tert-butyl(ethyl)amino]-(ditert-butylamino)methyl]amino]methyl]amino]methyl]amino]methanol
CID 134195756
[[Bis[di(propan-2-yl)amino]methyl-[[bis[di(propan-2-yl)amino]methylamino]methyl]amino]methyl-methylamino]methanol
CID 148262349
[Bis[di(propan-2-yl)amino]methyl-[[bis[di(propan-2-yl)amino]methyl-[[bis[di(propan-2-yl)amino]methylamino]methyl]amino]methyl]amino]methanol
CID 148738460
[Ethyl-[[ethyl(ethylaminomethyl)amino]methyl]amino]methanol
CID 157430945
[Di(propan-2-yl)amino]-[[3-[[[di(propan-2-yl)amino]-hydroxymethyl]amino]-2,2-dimethylpropyl]amino]methanol
CID 134851214

Frequently Asked Questions

What is the IUPAC name of [[[di(propan-2-yl)amino]methyl-[[[di(propan-2-yl)amino]methylamino]methyl]amino]methyl-methylamino]methanol?
The IUPAC name of [[[di(propan-2-yl)amino]methyl-[[[di(propan-2-yl)amino]methylamino]methyl]amino]methyl-methylamino]methanol (CID 146723163) is [[[di(propan-2-yl)amino]methyl-[[[di(propan-2-yl)amino]methylamino]methyl]amino]methyl-methylamino]methanol.
What is the SMILES notation for [[[di(propan-2-yl)amino]methyl-[[[di(propan-2-yl)amino]methylamino]methyl]amino]methyl-methylamino]methanol?
The canonical SMILES for [[[di(propan-2-yl)amino]methyl-[[[di(propan-2-yl)amino]methylamino]methyl]amino]methyl-methylamino]methanol is CC(C)N(CNCN(CN(C)CO)CN(C(C)C)C(C)C)C(C)C.
What is the InChIKey of [[[di(propan-2-yl)amino]methyl-[[[di(propan-2-yl)amino]methylamino]methyl]amino]methyl-methylamino]methanol?
The InChIKey is RFJNBOLBDRHDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H43N5O/c1-15(2)22(16(3)4)11-19-10-21(12-20(9)14-24)13-23(17(5)6)18(7)8/h15-19,24H,10-14H2,1-9H3.
What are the key properties of [[[di(propan-2-yl)amino]methyl-[[[di(propan-2-yl)amino]methylamino]methyl]amino]methyl-methylamino]methanol?
[[[di(propan-2-yl)amino]methyl-[[[di(propan-2-yl)amino]methylamino]methyl]amino]methyl-methylamino]methanol has a molecular weight of 345.58 g/mol, XLogP of 1.83, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[[di(propan-2-yl)amino]methyl-[[[di(propan-2-yl)amino]methylamino]methyl]amino]methyl-methylamino]methanol is sourced from PubChem (CID 146723163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).