N,N,N',N'-tetrakis(4-methylpentyl)methanediamine

C25H54N2 — CID 135274412

IUPACN,N,N',N'-tetrakis(4-methylpentyl)methanediamine
SMILESCC(C)CCCN(CCCC(C)C)CN(CCCC(C)C)CCCC(C)C
InChIInChI=1S/C25H54N2/c1-22(2)13-9-17-26(18-10-14-23(3)4)21-27(19-11-15-24(5)6)20-12-16-25(7)8/h22-25H,9-21H2,1-8H3
InChIKeyKTMPKJBFTLWXKK-UHFFFAOYSA-N
MW382.72 g/mol
LogP7.29
Rot. Bonds18

About N,N,N',N'-tetrakis(4-methylpentyl)methanediamine

N,N,N',N'-tetrakis(4-methylpentyl)methanediamine (PubChem CID 135274412) has the molecular formula C25H54N2 and a molecular weight of 382.72 g/mol. Its IUPAC name is N,N,N',N'-tetrakis(4-methylpentyl)methanediamine.

Molecular Properties

Compound NameN,N,N',N'-tetrakis(4-methylpentyl)methanediamine
PubChem CID135274412
Molecular FormulaC25H54N2
Molecular Weight382.72 g/mol
Exact Mass382.43
IUPAC NameN,N,N',N'-tetrakis(4-methylpentyl)methanediamine
SMILESCC(C)CCCN(CCCC(C)C)CN(CCCC(C)C)CCCC(C)C
InChIInChI=1S/C25H54N2/c1-22(2)13-9-17-26(18-10-14-23(3)4)21-27(19-11-15-24(5)6)20-12-16-25(7)8/h22-25H,9-21H2,1-8H3
InChIKeyKTMPKJBFTLWXKK-UHFFFAOYSA-N
XLogP7.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.72
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(4-methylpentyl)-N-pentylpentan-1-amine
CID 139723855
N-(4-methylpentyl)-N-octyloctan-1-amine
CID 139723154
N,N-bis(4-methylpentyl)nonan-1-amine
CID 139723744
N,N-bis(4-methylpentyl)octadecan-1-amine
CID 139723718
N'-(4-methylpentyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 83155603
N-(2-chloroethyl)-N-ethyl-4-methylpentan-1-amine
CID 83169075
N,N-diethyl-15-methylhexadecan-1-amine
CID 139723585
N,N-diethyl-16-methylheptadecan-1-amine
CID 22925563
N,N-diethyl-7-methyloctan-1-amine
CID 140640735
tris(2,7-dimethyloctane);ethane;methane
CID 159869544
N-[2-[2-[bis(4-methylpentyl)amino]ethyl-ethylamino]ethyl]-N,N'-diethyl-N'-[2-[4-methylpentyl(pentyl)amino]ethyl]ethane-1,2-diamine
CID 142586860
N'-ethyl-N-methyl-N'-(4-methylpentyl)ethane-1,2-diamine
CID 134316858

Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetrakis(4-methylpentyl)methanediamine?
The IUPAC name of N,N,N',N'-tetrakis(4-methylpentyl)methanediamine (CID 135274412) is N,N,N',N'-tetrakis(4-methylpentyl)methanediamine.
What is the SMILES notation for N,N,N',N'-tetrakis(4-methylpentyl)methanediamine?
The canonical SMILES for N,N,N',N'-tetrakis(4-methylpentyl)methanediamine is CC(C)CCCN(CCCC(C)C)CN(CCCC(C)C)CCCC(C)C.
What is the InChIKey of N,N,N',N'-tetrakis(4-methylpentyl)methanediamine?
The InChIKey is KTMPKJBFTLWXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H54N2/c1-22(2)13-9-17-26(18-10-14-23(3)4)21-27(19-11-15-24(5)6)20-12-16-25(7)8/h22-25H,9-21H2,1-8H3.
What are the key properties of N,N,N',N'-tetrakis(4-methylpentyl)methanediamine?
N,N,N',N'-tetrakis(4-methylpentyl)methanediamine has a molecular weight of 382.72 g/mol, XLogP of 7.29, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetrakis(4-methylpentyl)methanediamine is sourced from PubChem (CID 135274412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).