4-methyl-N,N-dipropylpent-3-en-1-yn-1-amine

C12H21N — CID 12572151

IUPAC4-methyl-N,N-dipropylpent-3-en-1-yn-1-amine
SMILESCCCN(C#CC=C(C)C)CCC
InChIInChI=1S/C12H21N/c1-5-9-13(10-6-2)11-7-8-12(3)4/h8H,5-6,9-10H2,1-4H3
InChIKeyCKSVDOPQCAMYHY-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.04
Rot. Bonds4

About 4-methyl-N,N-dipropylpent-3-en-1-yn-1-amine

4-methyl-N,N-dipropylpent-3-en-1-yn-1-amine (PubChem CID 12572151) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 4-methyl-N,N-dipropylpent-3-en-1-yn-1-amine.

Molecular Properties

Compound Name4-methyl-N,N-dipropylpent-3-en-1-yn-1-amine
PubChem CID12572151
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name4-methyl-N,N-dipropylpent-3-en-1-yn-1-amine
SMILESCCCN(C#CC=C(C)C)CCC
InChIInChI=1S/C12H21N/c1-5-9-13(10-6-2)11-7-8-12(3)4/h8H,5-6,9-10H2,1-4H3
InChIKeyCKSVDOPQCAMYHY-UHFFFAOYSA-N
XLogP3.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-4-methylpent-4-en-2-yn-1-amine
CID 1990327
2-Buten-1-amine, N,N-diethyl-3-methyl-
CID 547140
(E)-N,N-diethyl-2-methylbut-2-en-1-amine
CID 13570507
n,n-Dipropyl-(1-cyclopropenylmethyl)amine
CID 42601499
Diethyl-(2-methyl-but-2-enyl)-amine
CID 54016052
3-methyl-N,N-dipropylbut-2-en-1-amine
CID 15656045
N,N-dibutyl-3-methylbut-2-en-1-amine
CID 15727617
N,N-Diethyl-4-methylpent-3-en-1-yn-1-amine
CID 12572150
(Z)-N,N-dipropylpent-3-en-1-yn-1-amine
CID 23268221
N,N-diethyl-4-methyl-4-hexen-2-ynylamine
CID 129810128
N,N-diethyl-4-methyl-4-hexen-2--ynylamine
CID 129810409
4,5-dimethyl-N,N-dipropylhex-4-en-2-yn-1-amine
CID 11622573

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N,N-dipropylpent-3-en-1-yn-1-amine?
The IUPAC name of 4-methyl-N,N-dipropylpent-3-en-1-yn-1-amine (CID 12572151) is 4-methyl-N,N-dipropylpent-3-en-1-yn-1-amine.
What is the SMILES notation for 4-methyl-N,N-dipropylpent-3-en-1-yn-1-amine?
The canonical SMILES for 4-methyl-N,N-dipropylpent-3-en-1-yn-1-amine is CCCN(C#CC=C(C)C)CCC.
What is the InChIKey of 4-methyl-N,N-dipropylpent-3-en-1-yn-1-amine?
The InChIKey is CKSVDOPQCAMYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-5-9-13(10-6-2)11-7-8-12(3)4/h8H,5-6,9-10H2,1-4H3.
What are the key properties of 4-methyl-N,N-dipropylpent-3-en-1-yn-1-amine?
4-methyl-N,N-dipropylpent-3-en-1-yn-1-amine has a molecular weight of 179.31 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N,N-dipropylpent-3-en-1-yn-1-amine is sourced from PubChem (CID 12572151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).