1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine

C9H22N2 — CID 43571008

IUPAC1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
SMILESCCC(CC)N(C)CC(C)N
InChIInChI=1S/C9H22N2/c1-5-9(6-2)11(4)7-8(3)10/h8-9H,5-7,10H2,1-4H3
InChIKeyFRGGYHQVHUVLCX-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.45
Rot. Bonds5

About 1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine

1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine (PubChem CID 43571008) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
PubChem CID43571008
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
SMILESCCC(CC)N(C)CC(C)N
InChIInChI=1S/C9H22N2/c1-5-9(6-2)11(4)7-8(3)10/h8-9H,5-7,10H2,1-4H3
InChIKeyFRGGYHQVHUVLCX-UHFFFAOYSA-N
XLogP1.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 103934492
1-N,3,3-trimethyl-1-N-pentan-3-ylbutane-1,2-diamine
CID 43570997
1-N-(2-methylpropyl)-1-N-pentan-3-ylpropane-1,2-diamine
CID 79484278
N'-methyl-N'-pentan-3-ylmethanediamine
CID 58780835
1-N-(1-methoxypropan-2-yl)-1-N-methylpropane-1,2-diamine
CID 61453428
(2S)-1-N-(3,3-dimethylbutan-2-yl)-1-N-methylpropane-1,2-diamine
CID 103934582
N-(2,2-dimethoxyethyl)-N-methylpentan-3-amine
CID 66221244
1-N,1-N-dimethylpropane-1,2-diamine;dihydrochloride
CID 22731000
1-(4-ethylphenyl)-N'-methyl-N'-pentan-3-ylethane-1,2-diamine
CID 43570965
3-(methylamino)-4-[methyl(pentan-3-yl)amino]butan-1-ol
CID 64899677
butan-2-amine;(2R)-butan-2-amine;methane
CID 160926504
2-N-ethyl-1-N,2-N-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 164857720

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine (CID 43571008) is 1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine is CCC(CC)N(C)CC(C)N.
What is the InChIKey of 1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine?
The InChIKey is FRGGYHQVHUVLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-5-9(6-2)11(4)7-8(3)10/h8-9H,5-7,10H2,1-4H3.
What are the key properties of 1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine?
1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine is sourced from PubChem (CID 43571008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).