N-ethyl-3-methyl-N-[(Z)-prop-1-enyl]heptan-3-amine

C13H27N — CID 126627311

IUPACN-ethyl-3-methyl-N-[(Z)-prop-1-enyl]heptan-3-amine
SMILESC/C=C\N(CC)C(C)(CC)CCCC
InChIInChI=1S/C13H27N/c1-6-10-11-13(5,8-3)14(9-4)12-7-2/h7,12H,6,8-11H2,1-5H3/b12-7-
InChIKeyDCIXVBBKOJXGKL-GHXNOFRVSA-N
MW197.37 g/mol
LogP4.20
Rot. Bonds7

About N-ethyl-3-methyl-N-[(Z)-prop-1-enyl]heptan-3-amine

N-ethyl-3-methyl-N-[(Z)-prop-1-enyl]heptan-3-amine (PubChem CID 126627311) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-[(Z)-prop-1-enyl]heptan-3-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-[(Z)-prop-1-enyl]heptan-3-amine
PubChem CID126627311
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-ethyl-3-methyl-N-[(Z)-prop-1-enyl]heptan-3-amine
SMILESC/C=C\N(CC)C(C)(CC)CCCC
InChIInChI=1S/C13H27N/c1-6-10-11-13(5,8-3)14(9-4)12-7-2/h7,12H,6,8-11H2,1-5H3/b12-7-
InChIKeyDCIXVBBKOJXGKL-GHXNOFRVSA-N
XLogP4.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-ethyl-3-methyl-N-[(Z)-prop-1-enyl]heptan-3-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

2-methyl-N,N-bis(prop-2-enyl)heptan-2-amine
CID 53835121
N-ethenyl-3-methyl-N-[(Z)-prop-1-enyl]pentan-3-amine
CID 89376836
N-ethyl-2-methyl-N-prop-1-enylhexan-1-amine
CID 91055826
2,2,6,6-Tetramethyl-1-prop-1-enylpiperidine
CID 91590337
5-Ethyl-1,2-dimethyl-1-prop-1-enylazocan-1-ium
CID 123341269
N-buta-1,3-dienyl-N-(2-methylbutan-2-yl)heptan-2-amine
CID 123547911
N-ethenyl-N-ethyl-5,6-dimethyloct-1-en-4-amine
CID 124112847
N,4,4,6,6-pentamethyl-N-[(Z)-prop-1-enyl]heptan-2-amine
CID 130205278
N-ethyl-1-methyl-N-[(Z)-prop-1-enyl]cyclohexan-1-amine
CID 130461635
1-methyl-N-[(Z)-prop-1-enyl]-N-prop-2-enylcyclohexan-1-amine
CID 134219252
N-ethenyl-N,2-dimethylhexan-2-amine
CID 134224431
1-tert-butyl-4-(2-methylpropyl)-3,4-dihydro-2H-pyridine
CID 134314321

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N-[(Z)-prop-1-enyl]heptan-3-amine?
The IUPAC name of N-ethyl-3-methyl-N-[(Z)-prop-1-enyl]heptan-3-amine (CID 126627311) is N-ethyl-3-methyl-N-[(Z)-prop-1-enyl]heptan-3-amine.
What is the SMILES notation for N-ethyl-3-methyl-N-[(Z)-prop-1-enyl]heptan-3-amine?
The canonical SMILES for N-ethyl-3-methyl-N-[(Z)-prop-1-enyl]heptan-3-amine is C/C=C\N(CC)C(C)(CC)CCCC.
What is the InChIKey of N-ethyl-3-methyl-N-[(Z)-prop-1-enyl]heptan-3-amine?
The InChIKey is DCIXVBBKOJXGKL-GHXNOFRVSA-N. The full InChI is InChI=1S/C13H27N/c1-6-10-11-13(5,8-3)14(9-4)12-7-2/h7,12H,6,8-11H2,1-5H3/b12-7-.
What are the key properties of N-ethyl-3-methyl-N-[(Z)-prop-1-enyl]heptan-3-amine?
N-ethyl-3-methyl-N-[(Z)-prop-1-enyl]heptan-3-amine has a molecular weight of 197.37 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N-[(Z)-prop-1-enyl]heptan-3-amine is sourced from PubChem (CID 126627311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).