N-[[di(propan-2-yl)amino]methyl]-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine

C18H41N3 — CID 165377780

IUPACN-[[di(propan-2-yl)amino]methyl]-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCN(C(C)C)C(C)C)CN(C(C)C)C(C)C
InChIInChI=1S/C18H41N3/c1-14(2)19(13-21(17(7)8)18(9)10)11-12-20(15(3)4)16(5)6/h14-18H,11-13H2,1-10H3
InChIKeyAYQDKMCAPDEZIR-UHFFFAOYSA-N
MW299.55 g/mol
LogP3.89
Rot. Bonds10

About N-[[di(propan-2-yl)amino]methyl]-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine

N-[[di(propan-2-yl)amino]methyl]-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine (PubChem CID 165377780) has the molecular formula C18H41N3 and a molecular weight of 299.55 g/mol. Its IUPAC name is N-[[di(propan-2-yl)amino]methyl]-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[[di(propan-2-yl)amino]methyl]-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine
PubChem CID165377780
Molecular FormulaC18H41N3
Molecular Weight299.55 g/mol
Exact Mass299.33
IUPAC NameN-[[di(propan-2-yl)amino]methyl]-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCN(C(C)C)C(C)C)CN(C(C)C)C(C)C
InChIInChI=1S/C18H41N3/c1-14(2)19(13-21(17(7)8)18(9)10)11-12-20(15(3)4)16(5)6/h14-18H,11-13H2,1-10H3
InChIKeyAYQDKMCAPDEZIR-UHFFFAOYSA-N
XLogP3.89
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.55
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[di(propan-2-yl)amino]ethyl]-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine
CID 59309380
N-methyl-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine
CID 58105681
2-[di(propan-2-yl)amino]ethanol;methane
CID 145105271
N-[2-[2-[di(propan-2-yl)amino]ethyl-dimethylsilyl]ethyl]-N-propan-2-ylpropan-2-amine
CID 152607551
N,N-di(propan-2-yl)butan-1-amine
CID 11062646
2-[di(propan-2-yl)amino]ethyl-trimethylazanium
CID 91110629
2,3-dimethylbutane;N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 87486817
1-N,1-N-di(propan-2-yl)butane-1,3-diamine
CID 57236538
N-[2-[2-[2-[di(propan-2-yl)amino]ethylamino]ethyl-propan-2-ylamino]ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 165403745
N',N'-di(propan-2-yl)butane-1,4-diamine
CID 15365351
N',N'-di(propan-2-yl)ethane-1,2-diamine;ethane;molecular hydrogen
CID 142371506
ethane;N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 142040763

Frequently Asked Questions

What is the IUPAC name of N-[[di(propan-2-yl)amino]methyl]-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-[[di(propan-2-yl)amino]methyl]-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine (CID 165377780) is N-[[di(propan-2-yl)amino]methyl]-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-[[di(propan-2-yl)amino]methyl]-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-[[di(propan-2-yl)amino]methyl]-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine is CC(C)N(CCN(C(C)C)C(C)C)CN(C(C)C)C(C)C.
What is the InChIKey of N-[[di(propan-2-yl)amino]methyl]-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine?
The InChIKey is AYQDKMCAPDEZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H41N3/c1-14(2)19(13-21(17(7)8)18(9)10)11-12-20(15(3)4)16(5)6/h14-18H,11-13H2,1-10H3.
What are the key properties of N-[[di(propan-2-yl)amino]methyl]-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine?
N-[[di(propan-2-yl)amino]methyl]-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine has a molecular weight of 299.55 g/mol, XLogP of 3.89, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[di(propan-2-yl)amino]methyl]-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 165377780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).