1-N-butyl-1-N-methylpentane-1,2-diamine

C10H24N2 — CID 43650417

IUPAC1-N-butyl-1-N-methylpentane-1,2-diamine
SMILESCCCCN(C)CC(N)CCC
InChIInChI=1S/C10H24N2/c1-4-6-8-12(3)9-10(11)7-5-2/h10H,4-9,11H2,1-3H3
InChIKeyIVNAPMZHNNYDIN-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.85
Rot. Bonds7

About 1-N-butyl-1-N-methylpentane-1,2-diamine

1-N-butyl-1-N-methylpentane-1,2-diamine (PubChem CID 43650417) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 1-N-butyl-1-N-methylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-butyl-1-N-methylpentane-1,2-diamine
PubChem CID43650417
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name1-N-butyl-1-N-methylpentane-1,2-diamine
SMILESCCCCN(C)CC(N)CCC
InChIInChI=1S/C10H24N2/c1-4-6-8-12(3)9-10(11)7-5-2/h10H,4-9,11H2,1-3H3
InChIKeyIVNAPMZHNNYDIN-UHFFFAOYSA-N
XLogP1.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-Ethanediamine, N1,N1-bis(1-methylethyl)-
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1,7-DI-(Sec.-butyl)-diethylenetriamine
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3-amino-N-ethylpiperidine
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N,N,N'-Triisopropylethylenediamine
CID 66797
Pentyl(propan-2-yl)amine
CID 3015838
N,N-Dibutylethylenediamine
CID 77062
(S)-(-)-2-Aminomethyl-1-ethylpyrrolidine
CID 643457
(2R)-1-Ethyl-2-pyrrolidinemethanamine
CID 854138
(1-Methylpiperidin-2-yl)methanamine
CID 2794677
N-Hexylethylenediamine
CID 3345103

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-1-N-methylpentane-1,2-diamine?
The IUPAC name of 1-N-butyl-1-N-methylpentane-1,2-diamine (CID 43650417) is 1-N-butyl-1-N-methylpentane-1,2-diamine.
What is the SMILES notation for 1-N-butyl-1-N-methylpentane-1,2-diamine?
The canonical SMILES for 1-N-butyl-1-N-methylpentane-1,2-diamine is CCCCN(C)CC(N)CCC.
What is the InChIKey of 1-N-butyl-1-N-methylpentane-1,2-diamine?
The InChIKey is IVNAPMZHNNYDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-4-6-8-12(3)9-10(11)7-5-2/h10H,4-9,11H2,1-3H3.
What are the key properties of 1-N-butyl-1-N-methylpentane-1,2-diamine?
1-N-butyl-1-N-methylpentane-1,2-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-1-N-methylpentane-1,2-diamine is sourced from PubChem (CID 43650417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).