2-N,4-dimethyl-2-(2-methylpropyl)-2-N-pentan-3-ylpentane-1,2-diamine

C16H36N2 — CID 114867441

IUPAC2-N,4-dimethyl-2-(2-methylpropyl)-2-N-pentan-3-ylpentane-1,2-diamine
SMILESCCC(CC)N(C)C(CN)(CC(C)C)CC(C)C
InChIInChI=1S/C16H36N2/c1-8-15(9-2)18(7)16(12-17,10-13(3)4)11-14(5)6/h13-15H,8-12,17H2,1-7H3
InChIKeyUQCQJRAKYUCTBJ-UHFFFAOYSA-N
MW256.48 g/mol
LogP3.90
Rot. Bonds9

About 2-N,4-dimethyl-2-(2-methylpropyl)-2-N-pentan-3-ylpentane-1,2-diamine

2-N,4-dimethyl-2-(2-methylpropyl)-2-N-pentan-3-ylpentane-1,2-diamine (PubChem CID 114867441) has the molecular formula C16H36N2 and a molecular weight of 256.48 g/mol. Its IUPAC name is 2-N,4-dimethyl-2-(2-methylpropyl)-2-N-pentan-3-ylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N,4-dimethyl-2-(2-methylpropyl)-2-N-pentan-3-ylpentane-1,2-diamine
PubChem CID114867441
Molecular FormulaC16H36N2
Molecular Weight256.48 g/mol
Exact Mass256.29
IUPAC Name2-N,4-dimethyl-2-(2-methylpropyl)-2-N-pentan-3-ylpentane-1,2-diamine
SMILESCCC(CC)N(C)C(CN)(CC(C)C)CC(C)C
InChIInChI=1S/C16H36N2/c1-8-15(9-2)18(7)16(12-17,10-13(3)4)11-14(5)6/h13-15H,8-12,17H2,1-7H3
InChIKeyUQCQJRAKYUCTBJ-UHFFFAOYSA-N
XLogP3.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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-(1-methoxypropan-2-yl)-2-N,4-dimethyl-2-(2-methylpropyl)pentane-1,2-diamine
CID 114867538
4-methyl-2-(2-methylpropyl)-2-N,2-N-dipropylpentane-1,2-diamine
CID 115576499
2-N,4-dimethyl-2-(2-methylpropyl)-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine
CID 114867817
2-N-butan-2-yl-2-N-(2-methoxyethyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine
CID 114867563
2-N,4-dimethyl-2-N-(4-methylcyclohexyl)-2-(2-methylpropyl)pentane-1,2-diamine
CID 114867517
2-cyclopropyl-2-N-methyl-2-N-pentan-3-ylpropane-1,2-diamine
CID 43570891
2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine
CID 114867556
2-N-benzyl-2-N-ethyl-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine
CID 114867392
2-N-cyclopropyl-2-N-(cyclopropylmethyl)-4-methyl-2-(2-methylpropyl)pentane-1,2-diamine
CID 114867730
2-(2,2-dimethylhydrazinyl)-4-methyl-2-(2-methylpropyl)pentan-1-amine
CID 114867859
4-ethyl-2,6-dimethyl-N,N-di(propan-2-yl)heptan-4-amine
CID 135274420
N'-methyl-N'-pentan-3-ylmethanediamine
CID 58780835

Frequently Asked Questions

What is the IUPAC name of 2-N,4-dimethyl-2-(2-methylpropyl)-2-N-pentan-3-ylpentane-1,2-diamine?
The IUPAC name of 2-N,4-dimethyl-2-(2-methylpropyl)-2-N-pentan-3-ylpentane-1,2-diamine (CID 114867441) is 2-N,4-dimethyl-2-(2-methylpropyl)-2-N-pentan-3-ylpentane-1,2-diamine.
What is the SMILES notation for 2-N,4-dimethyl-2-(2-methylpropyl)-2-N-pentan-3-ylpentane-1,2-diamine?
The canonical SMILES for 2-N,4-dimethyl-2-(2-methylpropyl)-2-N-pentan-3-ylpentane-1,2-diamine is CCC(CC)N(C)C(CN)(CC(C)C)CC(C)C.
What is the InChIKey of 2-N,4-dimethyl-2-(2-methylpropyl)-2-N-pentan-3-ylpentane-1,2-diamine?
The InChIKey is UQCQJRAKYUCTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2/c1-8-15(9-2)18(7)16(12-17,10-13(3)4)11-14(5)6/h13-15H,8-12,17H2,1-7H3.
What are the key properties of 2-N,4-dimethyl-2-(2-methylpropyl)-2-N-pentan-3-ylpentane-1,2-diamine?
2-N,4-dimethyl-2-(2-methylpropyl)-2-N-pentan-3-ylpentane-1,2-diamine has a molecular weight of 256.48 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-dimethyl-2-(2-methylpropyl)-2-N-pentan-3-ylpentane-1,2-diamine is sourced from PubChem (CID 114867441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).