1-N,4-dimethyl-1-N-pent-3-ynylpentane-1,3-diamine

C12H24N2 — CID 104809119

IUPAC1-N,4-dimethyl-1-N-pent-3-ynylpentane-1,3-diamine
SMILESCC#CCCN(C)CCC(N)C(C)C
InChIInChI=1S/C12H24N2/c1-5-6-7-9-14(4)10-8-12(13)11(2)3/h11-12H,7-10,13H2,1-4H3
InChIKeyLQQNARBVFFRYEA-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.71
Rot. Bonds6

About 1-N,4-dimethyl-1-N-pent-3-ynylpentane-1,3-diamine

1-N,4-dimethyl-1-N-pent-3-ynylpentane-1,3-diamine (PubChem CID 104809119) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-N,4-dimethyl-1-N-pent-3-ynylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N,4-dimethyl-1-N-pent-3-ynylpentane-1,3-diamine
PubChem CID104809119
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-N,4-dimethyl-1-N-pent-3-ynylpentane-1,3-diamine
SMILESCC#CCCN(C)CCC(N)C(C)C
InChIInChI=1S/C12H24N2/c1-5-6-7-9-14(4)10-8-12(13)11(2)3/h11-12H,7-10,13H2,1-4H3
InChIKeyLQQNARBVFFRYEA-UHFFFAOYSA-N
XLogP1.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyldec-8-yn-3-amine
CID 104811927
1-N,4-dimethyl-1-N-pentylpentane-1,3-diamine
CID 81490182
2-[methyl(pent-3-ynyl)amino]ethanol
CID 104744034
3-[[(3-amino-4-methylpentyl)-methylamino]methyl]pentan-3-ol
CID 114496644
1-N-(2,3-dichloroprop-2-enyl)-1-N,4-dimethylpentane-1,3-diamine
CID 115317840
N,N,3-trimethyloct-6-yn-1-amine
CID 170193044
2-[(3-amino-4-methylpentyl)-methylamino]-N-ethyl-N-methylacetamide
CID 115317830
4-[but-2-ynyl(methyl)amino]butan-2-ol
CID 115665847
1-N-heptan-4-yl-1-N,4-dimethylpentane-1,3-diamine
CID 115317385
2-[(3-amino-4-methylpentyl)-methylamino]-N-tert-butylacetamide
CID 81490277
1-N,4-dimethyl-1-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pentane-1,3-diamine
CID 115317920
3-ethoxy-2-methylnon-7-yn-4-amine
CID 116720742

Frequently Asked Questions

What is the IUPAC name of 1-N,4-dimethyl-1-N-pent-3-ynylpentane-1,3-diamine?
The IUPAC name of 1-N,4-dimethyl-1-N-pent-3-ynylpentane-1,3-diamine (CID 104809119) is 1-N,4-dimethyl-1-N-pent-3-ynylpentane-1,3-diamine.
What is the SMILES notation for 1-N,4-dimethyl-1-N-pent-3-ynylpentane-1,3-diamine?
The canonical SMILES for 1-N,4-dimethyl-1-N-pent-3-ynylpentane-1,3-diamine is CC#CCCN(C)CCC(N)C(C)C.
What is the InChIKey of 1-N,4-dimethyl-1-N-pent-3-ynylpentane-1,3-diamine?
The InChIKey is LQQNARBVFFRYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-5-6-7-9-14(4)10-8-12(13)11(2)3/h11-12H,7-10,13H2,1-4H3.
What are the key properties of 1-N,4-dimethyl-1-N-pent-3-ynylpentane-1,3-diamine?
1-N,4-dimethyl-1-N-pent-3-ynylpentane-1,3-diamine has a molecular weight of 196.34 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-dimethyl-1-N-pent-3-ynylpentane-1,3-diamine is sourced from PubChem (CID 104809119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).