N-[2-[2-[2-[di(propan-2-yl)amino]ethylamino]ethyl-propan-2-ylamino]ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine

C21H49N5 — CID 165403745

IUPACN-[2-[2-[2-[di(propan-2-yl)amino]ethylamino]ethyl-propan-2-ylamino]ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(C)CCNCCN(CCNCCN(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C21H49N5/c1-18(2)24(9)14-10-22-11-15-25(19(3)4)16-12-23-13-17-26(20(5)6)21(7)8/h18-23H,10-17H2,1-9H3
InChIKeyFIDSECMSQSKQMB-UHFFFAOYSA-N
MW371.66 g/mol
LogP2.34
Rot. Bonds16

About N-[2-[2-[2-[di(propan-2-yl)amino]ethylamino]ethyl-propan-2-ylamino]ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine

N-[2-[2-[2-[di(propan-2-yl)amino]ethylamino]ethyl-propan-2-ylamino]ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 165403745) has the molecular formula C21H49N5 and a molecular weight of 371.66 g/mol. Its IUPAC name is N-[2-[2-[2-[di(propan-2-yl)amino]ethylamino]ethyl-propan-2-ylamino]ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-[2-[2-[di(propan-2-yl)amino]ethylamino]ethyl-propan-2-ylamino]ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID165403745
Molecular FormulaC21H49N5
Molecular Weight371.66 g/mol
Exact Mass371.40
IUPAC NameN-[2-[2-[2-[di(propan-2-yl)amino]ethylamino]ethyl-propan-2-ylamino]ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(C)CCNCCN(CCNCCN(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C21H49N5/c1-18(2)24(9)14-10-22-11-15-25(19(3)4)16-12-23-13-17-26(20(5)6)21(7)8/h18-23H,10-17H2,1-9H3
InChIKeyFIDSECMSQSKQMB-UHFFFAOYSA-N
XLogP2.34
TPSA33.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.66
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[methyl(propan-2-yl)amino]ethylamino]ethanol
CID 62641213
N-methyl-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine
CID 58105681
N'-methyl-N'-propan-2-yl-N-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 62641029
N'-methyl-N-(4-methylpentyl)-N'-propan-2-ylethane-1,2-diamine
CID 59420439
N-methyl-N'-[2-[2-(methylamino)ethyl-propan-2-ylamino]ethyl]ethane-1,2-diamine
CID 176601082
N'-methyl-N'-propan-2-yl-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine
CID 64554827
N-dodecyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 63492456
N'-tert-butyl-N-[2-[methyl(propan-2-yl)amino]ethyl]ethane-1,2-diamine
CID 107445595
N-hexyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62573357
N-[2-[di(propan-2-yl)amino]ethyl]-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine
CID 59309380
2-[2-[propan-2-yl(2-sulfanylethyl)amino]ethylamino]ethanethiol
CID 20625586
N',N'-di(propan-2-yl)-N-(silyloxymethyl)ethane-1,2-diamine
CID 123361702

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[di(propan-2-yl)amino]ethylamino]ethyl-propan-2-ylamino]ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of 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) is N-[2-[2-[2-[di(propan-2-yl)amino]ethylamino]ethyl-propan-2-ylamino]ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-[2-[2-[2-[di(propan-2-yl)amino]ethylamino]ethyl-propan-2-ylamino]ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-[2-[2-[2-[di(propan-2-yl)amino]ethylamino]ethyl-propan-2-ylamino]ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine is CC(C)N(C)CCNCCN(CCNCCN(C(C)C)C(C)C)C(C)C.
What is the InChIKey of N-[2-[2-[2-[di(propan-2-yl)amino]ethylamino]ethyl-propan-2-ylamino]ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is FIDSECMSQSKQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H49N5/c1-18(2)24(9)14-10-22-11-15-25(19(3)4)16-12-23-13-17-26(20(5)6)21(7)8/h18-23H,10-17H2,1-9H3.
What are the key properties of N-[2-[2-[2-[di(propan-2-yl)amino]ethylamino]ethyl-propan-2-ylamino]ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
N-[2-[2-[2-[di(propan-2-yl)amino]ethylamino]ethyl-propan-2-ylamino]ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 371.66 g/mol, XLogP of 2.34, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[di(propan-2-yl)amino]ethylamino]ethyl-propan-2-ylamino]ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 165403745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).