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

C9H22N2 — CID 43571779

IUPACN'-methyl-N'-pentan-2-ylpropane-1,3-diamine
SMILESCCCC(C)N(C)CCCN
InChIInChI=1S/C9H22N2/c1-4-6-9(2)11(3)8-5-7-10/h9H,4-8,10H2,1-3H3
InChIKeyWDFSYAFXFOICQK-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.46
Rot. Bonds6

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

N'-methyl-N'-pentan-2-ylpropane-1,3-diamine (PubChem CID 43571779) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is N'-methyl-N'-pentan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-pentan-2-ylpropane-1,3-diamine
PubChem CID43571779
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC NameN'-methyl-N'-pentan-2-ylpropane-1,3-diamine
SMILESCCCC(C)N(C)CCCN
InChIInChI=1S/C9H22N2/c1-4-6-9(2)11(3)8-5-7-10/h9H,4-8,10H2,1-3H3
InChIKeyWDFSYAFXFOICQK-UHFFFAOYSA-N
XLogP1.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-methyl-N'-pentan-2-ylhexane-1,6-diamine
CID 43572239
N',2,2-trimethyl-N'-pentan-2-ylpentane-1,5-diamine
CID 65254460
4-N-methyl-4-N-(3-methylbutyl)pentane-1,4-diamine
CID 62462204
N-(2-bromoethyl)-N-methylpentan-2-amine
CID 61287340
N,2-dimethyl-N-pentan-2-ylbutane-1,4-diamine
CID 80544220
N-dodecyl-N-methyltridecan-2-amine
CID 87784054
1-N'-(3-aminopropyl)-1-N'-methylpropane-1,1-diamine
CID 22987584
N'-methyl-N'-pentan-2-yl-N-propylpentane-1,5-diamine
CID 62432727
N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 16748474
N'-[2-[2-[butyl(methyl)amino]ethyl-methylamino]ethyl]-N'-methylpropane-1,3-diamine
CID 167586856
2-N-dodecyl-2-N-methylpropane-1,2-diamine
CID 104556816
1-N',1-N'-bis(3-aminopropyl)butane-1,1-diamine
CID 87385985

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-pentan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-methyl-N'-pentan-2-ylpropane-1,3-diamine (CID 43571779) is N'-methyl-N'-pentan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-pentan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-pentan-2-ylpropane-1,3-diamine is CCCC(C)N(C)CCCN.
What is the InChIKey of N'-methyl-N'-pentan-2-ylpropane-1,3-diamine?
The InChIKey is WDFSYAFXFOICQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-4-6-9(2)11(3)8-5-7-10/h9H,4-8,10H2,1-3H3.
What are the key properties of N'-methyl-N'-pentan-2-ylpropane-1,3-diamine?
N'-methyl-N'-pentan-2-ylpropane-1,3-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-pentan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 43571779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).