N'-(2-methylpropyl)-N'-pentan-3-yl-N-propan-2-ylhexane-1,6-diamine

C18H40N2 — CID 79492004

IUPACN'-(2-methylpropyl)-N'-pentan-3-yl-N-propan-2-ylhexane-1,6-diamine
SMILESCCC(CC)N(CCCCCCNC(C)C)CC(C)C
InChIInChI=1S/C18H40N2/c1-7-18(8-2)20(15-16(3)4)14-12-10-9-11-13-19-17(5)6/h16-19H,7-15H2,1-6H3
InChIKeyKZJRMQCTBMRDBZ-UHFFFAOYSA-N
MW284.53 g/mol
LogP4.69
Rot. Bonds13

About N'-(2-methylpropyl)-N'-pentan-3-yl-N-propan-2-ylhexane-1,6-diamine

N'-(2-methylpropyl)-N'-pentan-3-yl-N-propan-2-ylhexane-1,6-diamine (PubChem CID 79492004) has the molecular formula C18H40N2 and a molecular weight of 284.53 g/mol. Its IUPAC name is N'-(2-methylpropyl)-N'-pentan-3-yl-N-propan-2-ylhexane-1,6-diamine.

Molecular Properties

Compound NameN'-(2-methylpropyl)-N'-pentan-3-yl-N-propan-2-ylhexane-1,6-diamine
PubChem CID79492004
Molecular FormulaC18H40N2
Molecular Weight284.53 g/mol
Exact Mass284.32
IUPAC NameN'-(2-methylpropyl)-N'-pentan-3-yl-N-propan-2-ylhexane-1,6-diamine
SMILESCCC(CC)N(CCCCCCNC(C)C)CC(C)C
InChIInChI=1S/C18H40N2/c1-7-18(8-2)20(15-16(3)4)14-12-10-9-11-13-19-17(5)6/h16-19H,7-15H2,1-6H3
InChIKeyKZJRMQCTBMRDBZ-UHFFFAOYSA-N
XLogP4.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.53
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-N-ethyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylhexane-1,5-diamine
CID 79483858
N'-methyl-N'-pentan-3-yl-N-propan-2-ylbutane-1,4-diamine
CID 60850483
4-N,4-N-bis(2-methylpropyl)-1-N-propan-2-ylpentane-1,4-diamine
CID 55073668
N-cyclopentyl-N'-(2-methylpropyl)-N'-pentan-3-ylpropane-1,3-diamine
CID 79490291
N',N'-bis(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine
CID 107871319
N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-propan-2-ylpentane-1,5-diamine
CID 62425913
N,N-bis(2-methylpropyl)pentan-3-amine
CID 20735455
N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
CID 59849268
N,N'-di(propan-2-yl)-N'-[3-(propan-2-ylamino)propyl]propane-1,3-diamine
CID 164863364
N-propan-2-ylicosan-1-amine
CID 87246132
N-cyclohexyl-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine
CID 79490778
13-methyl-N-propan-2-yltetradecan-1-amine;molecular hydrogen
CID 176932946

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylpropyl)-N'-pentan-3-yl-N-propan-2-ylhexane-1,6-diamine?
The IUPAC name of N'-(2-methylpropyl)-N'-pentan-3-yl-N-propan-2-ylhexane-1,6-diamine (CID 79492004) is N'-(2-methylpropyl)-N'-pentan-3-yl-N-propan-2-ylhexane-1,6-diamine.
What is the SMILES notation for N'-(2-methylpropyl)-N'-pentan-3-yl-N-propan-2-ylhexane-1,6-diamine?
The canonical SMILES for N'-(2-methylpropyl)-N'-pentan-3-yl-N-propan-2-ylhexane-1,6-diamine is CCC(CC)N(CCCCCCNC(C)C)CC(C)C.
What is the InChIKey of N'-(2-methylpropyl)-N'-pentan-3-yl-N-propan-2-ylhexane-1,6-diamine?
The InChIKey is KZJRMQCTBMRDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2/c1-7-18(8-2)20(15-16(3)4)14-12-10-9-11-13-19-17(5)6/h16-19H,7-15H2,1-6H3.
What are the key properties of N'-(2-methylpropyl)-N'-pentan-3-yl-N-propan-2-ylhexane-1,6-diamine?
N'-(2-methylpropyl)-N'-pentan-3-yl-N-propan-2-ylhexane-1,6-diamine has a molecular weight of 284.53 g/mol, XLogP of 4.69, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpropyl)-N'-pentan-3-yl-N-propan-2-ylhexane-1,6-diamine is sourced from PubChem (CID 79492004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).