1-N-pentan-2-yl-2-N-propan-2-ylpropane-1,2-diamine

C11H26N2 — CID 62570127

IUPAC1-N-pentan-2-yl-2-N-propan-2-ylpropane-1,2-diamine
SMILESCCCC(C)NCC(C)NC(C)C
InChIInChI=1S/C11H26N2/c1-6-7-10(4)12-8-11(5)13-9(2)3/h9-13H,6-8H2,1-5H3
InChIKeyRZKHWWUCJILEMW-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.15
Rot. Bonds7

About 1-N-pentan-2-yl-2-N-propan-2-ylpropane-1,2-diamine

1-N-pentan-2-yl-2-N-propan-2-ylpropane-1,2-diamine (PubChem CID 62570127) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 1-N-pentan-2-yl-2-N-propan-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-pentan-2-yl-2-N-propan-2-ylpropane-1,2-diamine
PubChem CID62570127
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name1-N-pentan-2-yl-2-N-propan-2-ylpropane-1,2-diamine
SMILESCCCC(C)NCC(C)NC(C)C
InChIInChI=1S/C11H26N2/c1-6-7-10(4)12-8-11(5)13-9(2)3/h9-13H,6-8H2,1-5H3
InChIKeyRZKHWWUCJILEMW-UHFFFAOYSA-N
XLogP2.15
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-N-pentan-2-yl-2-N-propan-2-ylpropane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-1-N-pentan-2-ylbutane-1,2-diamine
CID 107886793
N-(2-chlorobutyl)pentan-2-amine
CID 107887575
oxalic acid;N-propan-2-ylpentan-2-amine
CID 175913447
N-(2,2-dimethoxyethyl)pentan-2-amine
CID 60816170
2-methyl-3-(pentan-2-ylamino)propan-1-ol
CID 65031909
2-N-propan-2-yl-1-N-propylpropane-1,2-diamine
CID 62569751
N-(2-propan-2-ylsulfonylpropyl)pentan-2-amine
CID 106513123
1,1-difluoro-3-(pentan-2-ylamino)propan-2-ol
CID 103787947
N-[2-(3-methylbutan-2-ylsulfanyl)propyl]pentan-2-amine
CID 107757268
N-(2-cyclohexylsulfanylpropyl)pentan-2-amine
CID 62579529
N-(2-chloro-3-methoxypropyl)pentan-2-amine
CID 107887414
1,2-bis[(2S)-pentan-2-yl]hydrazine
CID 92556919

Frequently Asked Questions

What is the IUPAC name of 1-N-pentan-2-yl-2-N-propan-2-ylpropane-1,2-diamine?
The IUPAC name of 1-N-pentan-2-yl-2-N-propan-2-ylpropane-1,2-diamine (CID 62570127) is 1-N-pentan-2-yl-2-N-propan-2-ylpropane-1,2-diamine.
What is the SMILES notation for 1-N-pentan-2-yl-2-N-propan-2-ylpropane-1,2-diamine?
The canonical SMILES for 1-N-pentan-2-yl-2-N-propan-2-ylpropane-1,2-diamine is CCCC(C)NCC(C)NC(C)C.
What is the InChIKey of 1-N-pentan-2-yl-2-N-propan-2-ylpropane-1,2-diamine?
The InChIKey is RZKHWWUCJILEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-6-7-10(4)12-8-11(5)13-9(2)3/h9-13H,6-8H2,1-5H3.
What are the key properties of 1-N-pentan-2-yl-2-N-propan-2-ylpropane-1,2-diamine?
1-N-pentan-2-yl-2-N-propan-2-ylpropane-1,2-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-pentan-2-yl-2-N-propan-2-ylpropane-1,2-diamine is sourced from PubChem (CID 62570127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).