4-methyl-2-(2-methylpropyl)-2-N,2-N-dipropylpentane-1,2-diamine

C16H36N2 — CID 115576499

IUPAC4-methyl-2-(2-methylpropyl)-2-N,2-N-dipropylpentane-1,2-diamine
SMILESCCCN(CCC)C(CN)(CC(C)C)CC(C)C
InChIInChI=1S/C16H36N2/c1-7-9-18(10-8-2)16(13-17,11-14(3)4)12-15(5)6/h14-15H,7-13,17H2,1-6H3
InChIKeyAHDKSWKJTJMMGF-UHFFFAOYSA-N
MW256.48 g/mol
LogP3.90
Rot. Bonds10

About 4-methyl-2-(2-methylpropyl)-2-N,2-N-dipropylpentane-1,2-diamine

4-methyl-2-(2-methylpropyl)-2-N,2-N-dipropylpentane-1,2-diamine (PubChem CID 115576499) has the molecular formula C16H36N2 and a molecular weight of 256.48 g/mol. Its IUPAC name is 4-methyl-2-(2-methylpropyl)-2-N,2-N-dipropylpentane-1,2-diamine.

Molecular Properties

Compound Name4-methyl-2-(2-methylpropyl)-2-N,2-N-dipropylpentane-1,2-diamine
PubChem CID115576499
Molecular FormulaC16H36N2
Molecular Weight256.48 g/mol
Exact Mass256.29
IUPAC Name4-methyl-2-(2-methylpropyl)-2-N,2-N-dipropylpentane-1,2-diamine
SMILESCCCN(CCC)C(CN)(CC(C)C)CC(C)C
InChIInChI=1S/C16H36N2/c1-7-9-18(10-8-2)16(13-17,11-14(3)4)12-15(5)6/h14-15H,7-13,17H2,1-6H3
InChIKeyAHDKSWKJTJMMGF-UHFFFAOYSA-N
XLogP3.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.48
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine
CID 114867556
2-N-butan-2-yl-2-N-(2-methoxyethyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine
CID 114867563
2-ethyl-2-N,2-N-bis(3-methylbutyl)butane-1,2-diamine
CID 107869452
2-N-(1-methoxypropan-2-yl)-2-N,4-dimethyl-2-(2-methylpropyl)pentane-1,2-diamine
CID 114867538
2-ethyl-2-N-(2-methylbutyl)-2-N-propylbutane-1,2-diamine
CID 62103453
2-N,4-dimethyl-2-(2-methylpropyl)-2-N-pentan-3-ylpentane-1,2-diamine
CID 114867441
2-ethyl-2-N-(2-propan-2-ylsulfonylethyl)-2-N-propylbutane-1,2-diamine
CID 106722764
2-N-benzyl-2-N-ethyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine
CID 114867392
3-[3-(aminomethyl)pentan-3-yl-propylamino]propan-1-ol
CID 62008603
2-methyl-2-N-(3-methylbutyl)-2-N-propylbutane-1,2-diamine
CID 62007587
2-ethyl-2-N-(3-ethylsulfonylpropyl)-2-N-propylbutane-1,2-diamine
CID 65094284
2-N,4-dimethyl-2-N-(4-methylcyclohexyl)-2-(2-methylpropyl)pentane-1,2-diamine
CID 114867517

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylpropyl)-2-N,2-N-dipropylpentane-1,2-diamine?
The IUPAC name of 4-methyl-2-(2-methylpropyl)-2-N,2-N-dipropylpentane-1,2-diamine (CID 115576499) is 4-methyl-2-(2-methylpropyl)-2-N,2-N-dipropylpentane-1,2-diamine.
What is the SMILES notation for 4-methyl-2-(2-methylpropyl)-2-N,2-N-dipropylpentane-1,2-diamine?
The canonical SMILES for 4-methyl-2-(2-methylpropyl)-2-N,2-N-dipropylpentane-1,2-diamine is CCCN(CCC)C(CN)(CC(C)C)CC(C)C.
What is the InChIKey of 4-methyl-2-(2-methylpropyl)-2-N,2-N-dipropylpentane-1,2-diamine?
The InChIKey is AHDKSWKJTJMMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2/c1-7-9-18(10-8-2)16(13-17,11-14(3)4)12-15(5)6/h14-15H,7-13,17H2,1-6H3.
What are the key properties of 4-methyl-2-(2-methylpropyl)-2-N,2-N-dipropylpentane-1,2-diamine?
4-methyl-2-(2-methylpropyl)-2-N,2-N-dipropylpentane-1,2-diamine has a molecular weight of 256.48 g/mol, XLogP of 3.90, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylpropyl)-2-N,2-N-dipropylpentane-1,2-diamine is sourced from PubChem (CID 115576499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).