(1Z,3E)-1-cycloheptyl-N-methylhepta-1,3-dien-1-amine

C15H27N — CID 126707036

IUPAC(1Z,3E)-1-cycloheptyl-N-methylhepta-1,3-dien-1-amine
SMILESCCC/C=C/C=C(\NC)C1CCCCCC1
InChIInChI=1S/C15H27N/c1-3-4-5-10-13-15(16-2)14-11-8-6-7-9-12-14/h5,10,13-14,16H,3-4,6-9,11-12H2,1-2H3/b10-5+,15-13-
InChIKeyNBQUFCXQHGLLGJ-MMMBZVNJSA-N
MW221.39 g/mol
LogP4.42
Rot. Bonds5

About (1Z,3E)-1-cycloheptyl-N-methylhepta-1,3-dien-1-amine

(1Z,3E)-1-cycloheptyl-N-methylhepta-1,3-dien-1-amine (PubChem CID 126707036) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is (1Z,3E)-1-cycloheptyl-N-methylhepta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-1-cycloheptyl-N-methylhepta-1,3-dien-1-amine
PubChem CID126707036
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name(1Z,3E)-1-cycloheptyl-N-methylhepta-1,3-dien-1-amine
SMILESCCC/C=C/C=C(\NC)C1CCCCCC1
InChIInChI=1S/C15H27N/c1-3-4-5-10-13-15(16-2)14-11-8-6-7-9-12-14/h5,10,13-14,16H,3-4,6-9,11-12H2,1-2H3/b10-5+,15-13-
InChIKeyNBQUFCXQHGLLGJ-MMMBZVNJSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-1-cycloheptyl-N-methylhepta-1,3-dien-1-amine?
The IUPAC name of (1Z,3E)-1-cycloheptyl-N-methylhepta-1,3-dien-1-amine (CID 126707036) is (1Z,3E)-1-cycloheptyl-N-methylhepta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3E)-1-cycloheptyl-N-methylhepta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3E)-1-cycloheptyl-N-methylhepta-1,3-dien-1-amine is CCC/C=C/C=C(\NC)C1CCCCCC1.
What is the InChIKey of (1Z,3E)-1-cycloheptyl-N-methylhepta-1,3-dien-1-amine?
The InChIKey is NBQUFCXQHGLLGJ-MMMBZVNJSA-N. The full InChI is InChI=1S/C15H27N/c1-3-4-5-10-13-15(16-2)14-11-8-6-7-9-12-14/h5,10,13-14,16H,3-4,6-9,11-12H2,1-2H3/b10-5+,15-13-.
What are the key properties of (1Z,3E)-1-cycloheptyl-N-methylhepta-1,3-dien-1-amine?
(1Z,3E)-1-cycloheptyl-N-methylhepta-1,3-dien-1-amine has a molecular weight of 221.39 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-1-cycloheptyl-N-methylhepta-1,3-dien-1-amine is sourced from PubChem (CID 126707036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).