N',N'-bis(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine

C19H42N2 — CID 107871319

IUPACN',N'-bis(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine
SMILESCC(C)CCN(CCCCCCNC(C)C)CCC(C)C
InChIInChI=1S/C19H42N2/c1-17(2)11-15-21(16-12-18(3)4)14-10-8-7-9-13-20-19(5)6/h17-20H,7-16H2,1-6H3
InChIKeyYWTNROPAOZRQJN-UHFFFAOYSA-N
MW298.56 g/mol
LogP4.94
Rot. Bonds14

About N',N'-bis(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine

N',N'-bis(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine (PubChem CID 107871319) has the molecular formula C19H42N2 and a molecular weight of 298.56 g/mol. Its IUPAC name is N',N'-bis(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine.

Molecular Properties

Compound NameN',N'-bis(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine
PubChem CID107871319
Molecular FormulaC19H42N2
Molecular Weight298.56 g/mol
Exact Mass298.33
IUPAC NameN',N'-bis(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine
SMILESCC(C)CCN(CCCCCCNC(C)C)CCC(C)C
InChIInChI=1S/C19H42N2/c1-17(2)11-15-21(16-12-18(3)4)14-10-8-7-9-13-20-19(5)6/h17-20H,7-16H2,1-6H3
InChIKeyYWTNROPAOZRQJN-UHFFFAOYSA-N
XLogP4.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.56
LogP ≤ 54.94
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

N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-propan-2-ylpentane-1,5-diamine
CID 62425913
N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
CID 59849268
N'-cyclopropyl-N'-(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine
CID 78967616
N-heptyl-N-(3-methylbutyl)heptan-1-amine
CID 139723381
N-(3-methylbutyl)-N-octadecyloctadecan-1-amine
CID 139724073
13-methyl-N-propan-2-yltetradecan-1-amine;molecular hydrogen
CID 176932946
N',N'-dibutyl-N-propan-2-ylpropane-1,3-diamine
CID 60854537
1-N,1-N-bis(3-methylbutyl)-5-N-propylhexane-1,5-diamine
CID 107869580
N-(4-chlorobutyl)-N-(2-chloroethyl)-3-methylbutan-1-amine
CID 3062538
N'-(2-methylpropyl)-N'-pentan-3-yl-N-propan-2-ylhexane-1,6-diamine
CID 79492004
N,5-dimethyl-N-propan-2-ylhexan-1-amine;4-methyl-N-propan-2-ylpentan-1-amine
CID 159368359
N'-ethyl-N'-(2-methylprop-2-enyl)-N-propan-2-ylpentane-1,5-diamine
CID 62417661

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine?
The IUPAC name of N',N'-bis(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine (CID 107871319) is N',N'-bis(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine.
What is the SMILES notation for N',N'-bis(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine?
The canonical SMILES for N',N'-bis(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine is CC(C)CCN(CCCCCCNC(C)C)CCC(C)C.
What is the InChIKey of N',N'-bis(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine?
The InChIKey is YWTNROPAOZRQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N2/c1-17(2)11-15-21(16-12-18(3)4)14-10-8-7-9-13-20-19(5)6/h17-20H,7-16H2,1-6H3.
What are the key properties of N',N'-bis(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine?
N',N'-bis(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine has a molecular weight of 298.56 g/mol, XLogP of 4.94, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine is sourced from PubChem (CID 107871319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).