N-[(Z)-but-2-enyl]-5-methylidenehept-6-en-2-amine

C12H21N — CID 89185793

IUPACN-[(Z)-but-2-enyl]-5-methylidenehept-6-en-2-amine
SMILESC=CC(=C)CCC(C)NC/C=C\C
InChIInChI=1S/C12H21N/c1-5-7-10-13-12(4)9-8-11(3)6-2/h5-7,12-13H,2-3,8-10H2,1,4H3/b7-5-
InChIKeyFVZUHSMHCKFKPA-ALCCZGGFSA-N
MW179.31 g/mol
LogP3.06
Rot. Bonds7

About N-[(Z)-but-2-enyl]-5-methylidenehept-6-en-2-amine

N-[(Z)-but-2-enyl]-5-methylidenehept-6-en-2-amine (PubChem CID 89185793) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-[(Z)-but-2-enyl]-5-methylidenehept-6-en-2-amine.

Molecular Properties

Compound NameN-[(Z)-but-2-enyl]-5-methylidenehept-6-en-2-amine
PubChem CID89185793
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-[(Z)-but-2-enyl]-5-methylidenehept-6-en-2-amine
SMILESC=CC(=C)CCC(C)NC/C=C\C
InChIInChI=1S/C12H21N/c1-5-7-10-13-12(4)9-8-11(3)6-2/h5-7,12-13H,2-3,8-10H2,1,4H3/b7-5-
InChIKeyFVZUHSMHCKFKPA-ALCCZGGFSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-2-enyl]-5-methylidenehept-6-en-2-amine?
The IUPAC name of N-[(Z)-but-2-enyl]-5-methylidenehept-6-en-2-amine (CID 89185793) is N-[(Z)-but-2-enyl]-5-methylidenehept-6-en-2-amine.
What is the SMILES notation for N-[(Z)-but-2-enyl]-5-methylidenehept-6-en-2-amine?
The canonical SMILES for N-[(Z)-but-2-enyl]-5-methylidenehept-6-en-2-amine is C=CC(=C)CCC(C)NC/C=C\C.
What is the InChIKey of N-[(Z)-but-2-enyl]-5-methylidenehept-6-en-2-amine?
The InChIKey is FVZUHSMHCKFKPA-ALCCZGGFSA-N. The full InChI is InChI=1S/C12H21N/c1-5-7-10-13-12(4)9-8-11(3)6-2/h5-7,12-13H,2-3,8-10H2,1,4H3/b7-5-.
What are the key properties of N-[(Z)-but-2-enyl]-5-methylidenehept-6-en-2-amine?
N-[(Z)-but-2-enyl]-5-methylidenehept-6-en-2-amine has a molecular weight of 179.31 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-2-enyl]-5-methylidenehept-6-en-2-amine is sourced from PubChem (CID 89185793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).