4-methyl-N-propan-2-ylhept-3-en-6-yn-1-amine

C11H19N — CID 79598493

IUPAC4-methyl-N-propan-2-ylhept-3-en-6-yn-1-amine
SMILESC#CCC(C)=CCCNC(C)C
InChIInChI=1S/C11H19N/c1-5-7-11(4)8-6-9-12-10(2)3/h1,8,10,12H,6-7,9H2,2-4H3
InChIKeyKXILAULNNPLWBB-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.34
Rot. Bonds5

About 4-methyl-N-propan-2-ylhept-3-en-6-yn-1-amine

4-methyl-N-propan-2-ylhept-3-en-6-yn-1-amine (PubChem CID 79598493) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 4-methyl-N-propan-2-ylhept-3-en-6-yn-1-amine.

Molecular Properties

Compound Name4-methyl-N-propan-2-ylhept-3-en-6-yn-1-amine
PubChem CID79598493
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name4-methyl-N-propan-2-ylhept-3-en-6-yn-1-amine
SMILESC#CCC(C)=CCCNC(C)C
InChIInChI=1S/C11H19N/c1-5-7-11(4)8-6-9-12-10(2)3/h1,8,10,12H,6-7,9H2,2-4H3
InChIKeyKXILAULNNPLWBB-UHFFFAOYSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,4-dimethylhept-3-en-6-yn-1-amine
CID 79598050
4-methyl-5-(oxan-4-yl)-N-propan-2-ylpent-3-en-1-amine
CID 79599390
4-methyl-N-(2-methylpropyl)oct-3-en-7-yn-1-amine
CID 79607908
4-methyl-N-propan-2-yl-5-[4-(trifluoromethyl)phenyl]pent-3-en-1-amine
CID 79598098
(Z)-4-methyl-5-(1-methyltriazol-4-yl)-N-propan-2-ylpent-3-en-1-amine
CID 107058743
(Z)-4-(oxan-3-yl)-N-propan-2-ylpent-3-en-1-amine
CID 107138010
5-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-methyl-N-propan-2-ylpent-3-en-1-amine
CID 79598235
4-[2-methyl-5-(propan-2-ylamino)pent-2-enyl]pyridin-2-amine
CID 79598485
(E)-4-(2-aminobutoxy)-N-propan-2-ylpent-3-en-1-amine
CID 173467081
3-(4,8,12,16-tetramethylnonadeca-3,7,11,15-tetraen-18-ynyl)furan
CID 123470713
4-chloro-3-methyl-N-propan-2-ylbut-3-en-1-amine
CID 106439917
(E)-5-methyl-N-propan-2-ylhept-3-en-1-amine
CID 79592541

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propan-2-ylhept-3-en-6-yn-1-amine?
The IUPAC name of 4-methyl-N-propan-2-ylhept-3-en-6-yn-1-amine (CID 79598493) is 4-methyl-N-propan-2-ylhept-3-en-6-yn-1-amine.
What is the SMILES notation for 4-methyl-N-propan-2-ylhept-3-en-6-yn-1-amine?
The canonical SMILES for 4-methyl-N-propan-2-ylhept-3-en-6-yn-1-amine is C#CCC(C)=CCCNC(C)C.
What is the InChIKey of 4-methyl-N-propan-2-ylhept-3-en-6-yn-1-amine?
The InChIKey is KXILAULNNPLWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-5-7-11(4)8-6-9-12-10(2)3/h1,8,10,12H,6-7,9H2,2-4H3.
What are the key properties of 4-methyl-N-propan-2-ylhept-3-en-6-yn-1-amine?
4-methyl-N-propan-2-ylhept-3-en-6-yn-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propan-2-ylhept-3-en-6-yn-1-amine is sourced from PubChem (CID 79598493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).