(Z)-N,6,6-trimethyl-N-propylhept-3-en-1-amine

C13H27N — CID 130370580

IUPAC(Z)-N,6,6-trimethyl-N-propylhept-3-en-1-amine
SMILESCCCN(C)CC/C=C\CC(C)(C)C
InChIInChI=1S/C13H27N/c1-6-11-14(5)12-9-7-8-10-13(2,3)4/h7-8H,6,9-12H2,1-5H3/b8-7-
InChIKeyLDCPOIDSBGOBDM-FPLPWBNLSA-N
MW197.37 g/mol
LogP3.71
Rot. Bonds6

About (Z)-N,6,6-trimethyl-N-propylhept-3-en-1-amine

(Z)-N,6,6-trimethyl-N-propylhept-3-en-1-amine (PubChem CID 130370580) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is (Z)-N,6,6-trimethyl-N-propylhept-3-en-1-amine.

Molecular Properties

Compound Name(Z)-N,6,6-trimethyl-N-propylhept-3-en-1-amine
PubChem CID130370580
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name(Z)-N,6,6-trimethyl-N-propylhept-3-en-1-amine
SMILESCCCN(C)CC/C=C\CC(C)(C)C
InChIInChI=1S/C13H27N/c1-6-11-14(5)12-9-7-8-10-13(2,3)4/h7-8H,6,9-12H2,1-5H3/b8-7-
InChIKeyLDCPOIDSBGOBDM-FPLPWBNLSA-N
XLogP3.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-N,6,6-trimethyl-N-propylhept-3-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-dimethyl-N'-[2-[methyl(propyl)amino]ethyl]-N-propylethane-1,2-diamine
CID 162082787
(E)-N-ethyl-N-methylpent-3-en-1-amine
CID 147558495
N-methyl-N-propylbut-2-en-1-amine
CID 123499797
(4Z,7Z)-2,2,10,10-tetramethylundeca-4,7-diene
CID 176844045
1-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine
CID 62848218
N,N-diethyl-5,5-dimethylhex-2-en-1-amine
CID 170847589
(3E,5E)-N-methyl-5-[(Z)-prop-1-enyl]-N-propylnona-3,5,7,8-tetraen-1-amine
CID 155119648
(E)-6,6-dimethyl-1-[(2-methylpropan-2-yl)oxy]hept-3-ene
CID 122630459
(E)-2,2,9-trimethyldec-4-ene
CID 176646418
N-methyl-N-propylpent-4-en-1-amine
CID 91551262
(3Z,6Z,9Z)-12,12-dimethyltrideca-3,6,9-triene
CID 158835556
N',2,2-trimethyl-N'-propylbutane-1,4-diamine
CID 65246982

Frequently Asked Questions

What is the IUPAC name of (Z)-N,6,6-trimethyl-N-propylhept-3-en-1-amine?
The IUPAC name of (Z)-N,6,6-trimethyl-N-propylhept-3-en-1-amine (CID 130370580) is (Z)-N,6,6-trimethyl-N-propylhept-3-en-1-amine.
What is the SMILES notation for (Z)-N,6,6-trimethyl-N-propylhept-3-en-1-amine?
The canonical SMILES for (Z)-N,6,6-trimethyl-N-propylhept-3-en-1-amine is CCCN(C)CC/C=C\CC(C)(C)C.
What is the InChIKey of (Z)-N,6,6-trimethyl-N-propylhept-3-en-1-amine?
The InChIKey is LDCPOIDSBGOBDM-FPLPWBNLSA-N. The full InChI is InChI=1S/C13H27N/c1-6-11-14(5)12-9-7-8-10-13(2,3)4/h7-8H,6,9-12H2,1-5H3/b8-7-.
What are the key properties of (Z)-N,6,6-trimethyl-N-propylhept-3-en-1-amine?
(Z)-N,6,6-trimethyl-N-propylhept-3-en-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,6,6-trimethyl-N-propylhept-3-en-1-amine is sourced from PubChem (CID 130370580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).