3-N-butyl-1-N,3-N-dimethylpentane-1,3-diamine

C11H26N2 — CID 142275880

IUPAC3-N-butyl-1-N,3-N-dimethylpentane-1,3-diamine
SMILESCCCCN(C)C(CC)CCNC
InChIInChI=1S/C11H26N2/c1-5-7-10-13(4)11(6-2)8-9-12-3/h11-12H,5-10H2,1-4H3
InChIKeyHVCHOEKMCYOPHP-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.11
Rot. Bonds8

About 3-N-butyl-1-N,3-N-dimethylpentane-1,3-diamine

3-N-butyl-1-N,3-N-dimethylpentane-1,3-diamine (PubChem CID 142275880) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 3-N-butyl-1-N,3-N-dimethylpentane-1,3-diamine.

Molecular Properties

Compound Name3-N-butyl-1-N,3-N-dimethylpentane-1,3-diamine
PubChem CID142275880
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name3-N-butyl-1-N,3-N-dimethylpentane-1,3-diamine
SMILESCCCCN(C)C(CC)CCNC
InChIInChI=1S/C11H26N2/c1-5-7-10-13(4)11(6-2)8-9-12-3/h11-12H,5-10H2,1-4H3
InChIKeyHVCHOEKMCYOPHP-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,3-N-dimethyl-3-N-propylpentane-1,3-diamine;ethane
CID 142969237
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3-[butyl(methyl)amino]pentanethioamide
CID 43174954
1-N,3-N,3-N,6-N,6-N-pentamethylhexane-1,3,6-triamine
CID 87864817
1-N-tert-butyl-2-N-butyl-2-N-methylpentane-1,2-diamine
CID 83042715
3-N-(3-methoxypropyl)-1-N,3-N-dimethylbutane-1,3-diamine
CID 63009569
N'-methyl-N'-pentan-3-yl-N-propan-2-ylbutane-1,4-diamine
CID 60850483
4-N-butyl-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 62424956
N-(3-bromopropyl)-N-methylpentan-3-amine
CID 61286932
N,N'-dimethyl-N'-propan-2-ylbutane-1,4-diamine
CID 57031301
3-N-(2-aminoethyl)-3-N-methylpentane-1,3-diamine
CID 173242515
1-N'-butyl-1-N'-methylpentane-1,1-diamine
CID 91621881

Frequently Asked Questions

What is the IUPAC name of 3-N-butyl-1-N,3-N-dimethylpentane-1,3-diamine?
The IUPAC name of 3-N-butyl-1-N,3-N-dimethylpentane-1,3-diamine (CID 142275880) is 3-N-butyl-1-N,3-N-dimethylpentane-1,3-diamine.
What is the SMILES notation for 3-N-butyl-1-N,3-N-dimethylpentane-1,3-diamine?
The canonical SMILES for 3-N-butyl-1-N,3-N-dimethylpentane-1,3-diamine is CCCCN(C)C(CC)CCNC.
What is the InChIKey of 3-N-butyl-1-N,3-N-dimethylpentane-1,3-diamine?
The InChIKey is HVCHOEKMCYOPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-5-7-10-13(4)11(6-2)8-9-12-3/h11-12H,5-10H2,1-4H3.
What are the key properties of 3-N-butyl-1-N,3-N-dimethylpentane-1,3-diamine?
3-N-butyl-1-N,3-N-dimethylpentane-1,3-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butyl-1-N,3-N-dimethylpentane-1,3-diamine is sourced from PubChem (CID 142275880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).