(2Z,4Z)-2-fluoro-N-propan-2-ylhepta-2,4-dien-4-amine

C10H18FN — CID 138463037

IUPAC(2Z,4Z)-2-fluoro-N-propan-2-ylhepta-2,4-dien-4-amine
SMILESCC/C=C(/C=C(/C)F)NC(C)C
InChIInChI=1S/C10H18FN/c1-5-6-10(7-9(4)11)12-8(2)3/h6-8,12H,5H2,1-4H3/b9-7-,10-6-
InChIKeyVHEAPOBNRMORPY-ZVEIMFCASA-N
MW171.26 g/mol
LogP3.15
Rot. Bonds4

About (2Z,4Z)-2-fluoro-N-propan-2-ylhepta-2,4-dien-4-amine

(2Z,4Z)-2-fluoro-N-propan-2-ylhepta-2,4-dien-4-amine (PubChem CID 138463037) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is (2Z,4Z)-2-fluoro-N-propan-2-ylhepta-2,4-dien-4-amine.

Molecular Properties

Compound Name(2Z,4Z)-2-fluoro-N-propan-2-ylhepta-2,4-dien-4-amine
PubChem CID138463037
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name(2Z,4Z)-2-fluoro-N-propan-2-ylhepta-2,4-dien-4-amine
SMILESCC/C=C(/C=C(/C)F)NC(C)C
InChIInChI=1S/C10H18FN/c1-5-6-10(7-9(4)11)12-8(2)3/h6-8,12H,5H2,1-4H3/b9-7-,10-6-
InChIKeyVHEAPOBNRMORPY-ZVEIMFCASA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 53.15
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 (2Z,4Z)-2-fluoro-N-propan-2-ylhepta-2,4-dien-4-amine?
The IUPAC name of (2Z,4Z)-2-fluoro-N-propan-2-ylhepta-2,4-dien-4-amine (CID 138463037) is (2Z,4Z)-2-fluoro-N-propan-2-ylhepta-2,4-dien-4-amine.
What is the SMILES notation for (2Z,4Z)-2-fluoro-N-propan-2-ylhepta-2,4-dien-4-amine?
The canonical SMILES for (2Z,4Z)-2-fluoro-N-propan-2-ylhepta-2,4-dien-4-amine is CC/C=C(/C=C(/C)F)NC(C)C.
What is the InChIKey of (2Z,4Z)-2-fluoro-N-propan-2-ylhepta-2,4-dien-4-amine?
The InChIKey is VHEAPOBNRMORPY-ZVEIMFCASA-N. The full InChI is InChI=1S/C10H18FN/c1-5-6-10(7-9(4)11)12-8(2)3/h6-8,12H,5H2,1-4H3/b9-7-,10-6-.
What are the key properties of (2Z,4Z)-2-fluoro-N-propan-2-ylhepta-2,4-dien-4-amine?
(2Z,4Z)-2-fluoro-N-propan-2-ylhepta-2,4-dien-4-amine has a molecular weight of 171.26 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-2-fluoro-N-propan-2-ylhepta-2,4-dien-4-amine is sourced from PubChem (CID 138463037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).