(3E)-4-chloro-N-[(1-fluorocyclopentyl)methyl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine

C15H23ClFN — CID 134466153

IUPAC(3E)-4-chloro-N-[(1-fluorocyclopentyl)methyl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
SMILESC=C/C(Cl)=C(\C=C/C)CCNCC1(F)CCCC1
InChIInChI=1S/C15H23ClFN/c1-3-7-13(14(16)4-2)8-11-18-12-15(17)9-5-6-10-15/h3-4,7,18H,2,5-6,8-12H2,1H3/b7-3-,14-13-
InChIKeyWPJLTUIKAYLAAR-AFEMCNPNSA-N
MW271.81 g/mol
LogP4.50
Rot. Bonds7

About (3E)-4-chloro-N-[(1-fluorocyclopentyl)methyl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine

(3E)-4-chloro-N-[(1-fluorocyclopentyl)methyl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine (PubChem CID 134466153) has the molecular formula C15H23ClFN and a molecular weight of 271.81 g/mol. Its IUPAC name is (3E)-4-chloro-N-[(1-fluorocyclopentyl)methyl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(3E)-4-chloro-N-[(1-fluorocyclopentyl)methyl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
PubChem CID134466153
Molecular FormulaC15H23ClFN
Molecular Weight271.81 g/mol
Exact Mass271.15
IUPAC Name(3E)-4-chloro-N-[(1-fluorocyclopentyl)methyl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
SMILESC=C/C(Cl)=C(\C=C/C)CCNCC1(F)CCCC1
InChIInChI=1S/C15H23ClFN/c1-3-7-13(14(16)4-2)8-11-18-12-15(17)9-5-6-10-15/h3-4,7,18H,2,5-6,8-12H2,1H3/b7-3-,14-13-
InChIKeyWPJLTUIKAYLAAR-AFEMCNPNSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-4-chloro-N-[(1-fluorocyclopentyl)methyl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine?
The IUPAC name of (3E)-4-chloro-N-[(1-fluorocyclopentyl)methyl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine (CID 134466153) is (3E)-4-chloro-N-[(1-fluorocyclopentyl)methyl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine.
What is the SMILES notation for (3E)-4-chloro-N-[(1-fluorocyclopentyl)methyl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine?
The canonical SMILES for (3E)-4-chloro-N-[(1-fluorocyclopentyl)methyl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine is C=C/C(Cl)=C(\C=C/C)CCNCC1(F)CCCC1.
What is the InChIKey of (3E)-4-chloro-N-[(1-fluorocyclopentyl)methyl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine?
The InChIKey is WPJLTUIKAYLAAR-AFEMCNPNSA-N. The full InChI is InChI=1S/C15H23ClFN/c1-3-7-13(14(16)4-2)8-11-18-12-15(17)9-5-6-10-15/h3-4,7,18H,2,5-6,8-12H2,1H3/b7-3-,14-13-.
What are the key properties of (3E)-4-chloro-N-[(1-fluorocyclopentyl)methyl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine?
(3E)-4-chloro-N-[(1-fluorocyclopentyl)methyl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine has a molecular weight of 271.81 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-chloro-N-[(1-fluorocyclopentyl)methyl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine is sourced from PubChem (CID 134466153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).