(3E,5Z)-3-fluoro-4-methyl-2-methylidene-N-pent-1-en-2-ylhepta-3,5-dien-1-amine

C14H22FN — CID 167170063

IUPAC(3E,5Z)-3-fluoro-4-methyl-2-methylidene-N-pent-1-en-2-ylhepta-3,5-dien-1-amine
SMILESC=C(CCC)NCC(=C)/C(F)=C(C)\C=C/C
InChIInChI=1S/C14H22FN/c1-6-8-11(3)14(15)12(4)10-16-13(5)9-7-2/h6,8,16H,4-5,7,9-10H2,1-3H3/b8-6-,14-11+
InChIKeyMYYVOVFYHRPWQS-ZJHFMPGASA-N
MW223.33 g/mol
LogP4.27
Rot. Bonds7

About (3E,5Z)-3-fluoro-4-methyl-2-methylidene-N-pent-1-en-2-ylhepta-3,5-dien-1-amine

(3E,5Z)-3-fluoro-4-methyl-2-methylidene-N-pent-1-en-2-ylhepta-3,5-dien-1-amine (PubChem CID 167170063) has the molecular formula C14H22FN and a molecular weight of 223.33 g/mol. Its IUPAC name is (3E,5Z)-3-fluoro-4-methyl-2-methylidene-N-pent-1-en-2-ylhepta-3,5-dien-1-amine.

Molecular Properties

Compound Name(3E,5Z)-3-fluoro-4-methyl-2-methylidene-N-pent-1-en-2-ylhepta-3,5-dien-1-amine
PubChem CID167170063
Molecular FormulaC14H22FN
Molecular Weight223.33 g/mol
Exact Mass223.17
IUPAC Name(3E,5Z)-3-fluoro-4-methyl-2-methylidene-N-pent-1-en-2-ylhepta-3,5-dien-1-amine
SMILESC=C(CCC)NCC(=C)/C(F)=C(C)\C=C/C
InChIInChI=1S/C14H22FN/c1-6-8-11(3)14(15)12(4)10-16-13(5)9-7-2/h6,8,16H,4-5,7,9-10H2,1-3H3/b8-6-,14-11+
InChIKeyMYYVOVFYHRPWQS-ZJHFMPGASA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.33
LogP ≤ 54.27
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 (3E,5Z)-3-fluoro-4-methyl-2-methylidene-N-pent-1-en-2-ylhepta-3,5-dien-1-amine?
The IUPAC name of (3E,5Z)-3-fluoro-4-methyl-2-methylidene-N-pent-1-en-2-ylhepta-3,5-dien-1-amine (CID 167170063) is (3E,5Z)-3-fluoro-4-methyl-2-methylidene-N-pent-1-en-2-ylhepta-3,5-dien-1-amine.
What is the SMILES notation for (3E,5Z)-3-fluoro-4-methyl-2-methylidene-N-pent-1-en-2-ylhepta-3,5-dien-1-amine?
The canonical SMILES for (3E,5Z)-3-fluoro-4-methyl-2-methylidene-N-pent-1-en-2-ylhepta-3,5-dien-1-amine is C=C(CCC)NCC(=C)/C(F)=C(C)\C=C/C.
What is the InChIKey of (3E,5Z)-3-fluoro-4-methyl-2-methylidene-N-pent-1-en-2-ylhepta-3,5-dien-1-amine?
The InChIKey is MYYVOVFYHRPWQS-ZJHFMPGASA-N. The full InChI is InChI=1S/C14H22FN/c1-6-8-11(3)14(15)12(4)10-16-13(5)9-7-2/h6,8,16H,4-5,7,9-10H2,1-3H3/b8-6-,14-11+.
What are the key properties of (3E,5Z)-3-fluoro-4-methyl-2-methylidene-N-pent-1-en-2-ylhepta-3,5-dien-1-amine?
(3E,5Z)-3-fluoro-4-methyl-2-methylidene-N-pent-1-en-2-ylhepta-3,5-dien-1-amine has a molecular weight of 223.33 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-3-fluoro-4-methyl-2-methylidene-N-pent-1-en-2-ylhepta-3,5-dien-1-amine is sourced from PubChem (CID 167170063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).