(Z)-2-fluoro-N,3,8-trimethyl-4,7-dimethylidene-N-propan-2-ylnon-5-en-1-amine

C17H30FN — CID 176935004

IUPAC(Z)-2-fluoro-N,3,8-trimethyl-4,7-dimethylidene-N-propan-2-ylnon-5-en-1-amine
SMILESC=C(/C=C\C(=C)C(C)C(F)CN(C)C(C)C)C(C)C
InChIInChI=1S/C17H30FN/c1-12(2)14(5)9-10-15(6)16(7)17(18)11-19(8)13(3)4/h9-10,12-13,16-17H,5-6,11H2,1-4,7-8H3/b10-9-
InChIKeyBLFCWNNBCAWINX-KTKRTIGZSA-N
MW267.43 g/mol
LogP4.63
Rot. Bonds8

About (Z)-2-fluoro-N,3,8-trimethyl-4,7-dimethylidene-N-propan-2-ylnon-5-en-1-amine

(Z)-2-fluoro-N,3,8-trimethyl-4,7-dimethylidene-N-propan-2-ylnon-5-en-1-amine (PubChem CID 176935004) has the molecular formula C17H30FN and a molecular weight of 267.43 g/mol. Its IUPAC name is (Z)-2-fluoro-N,3,8-trimethyl-4,7-dimethylidene-N-propan-2-ylnon-5-en-1-amine.

Molecular Properties

Compound Name(Z)-2-fluoro-N,3,8-trimethyl-4,7-dimethylidene-N-propan-2-ylnon-5-en-1-amine
PubChem CID176935004
Molecular FormulaC17H30FN
Molecular Weight267.43 g/mol
Exact Mass267.24
IUPAC Name(Z)-2-fluoro-N,3,8-trimethyl-4,7-dimethylidene-N-propan-2-ylnon-5-en-1-amine
SMILESC=C(/C=C\C(=C)C(C)C(F)CN(C)C(C)C)C(C)C
InChIInChI=1S/C17H30FN/c1-12(2)14(5)9-10-15(6)16(7)17(18)11-19(8)13(3)4/h9-10,12-13,16-17H,5-6,11H2,1-4,7-8H3/b10-9-
InChIKeyBLFCWNNBCAWINX-KTKRTIGZSA-N
XLogP4.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.43
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-2-fluoro-N,3,8-trimethyl-4,7-dimethylidene-N-propan-2-ylnon-5-en-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(3-ethylheptyl)-1-fluoro-N-methylcyclohexa-2,4-dien-1-amine
CID 23123206
N-ethyl-1-fluoro-N-(2-methylpentyl)cyclohexa-2,4-dien-1-amine
CID 23123337
1-[2-(4-Fluorocyclohexa-1,5-dien-1-yl)ethyl]-4-methylpiperidine
CID 70819928
7-Fluoro-2-propan-2-yl-1,3,4,5-tetrahydrocyclohepta[c]pyridine
CID 91218244
4-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-1-methylpiperidine
CID 121306892
3-But-2-en-2-yl-4-fluoro-1-propan-2-ylpyrrolidine
CID 123887053
(4Z)-4-[(E)-1-fluoroprop-1-enyl]-N,N-dimethyl-3-propan-2-ylhepta-4,6-dien-2-amine
CID 126490053
6-(2,4-difluoro-6-pent-2-enylcyclohexa-1,3-dien-1-yl)-1-pent-2-enyl-2H-pyridine
CID 129156390
(1R,2R)-1-fluoro-N-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)-N-prop-2-ynylpropan-2-amine
CID 130217155
(4Z)-4-[(Z)-1,2-difluoroethenyl]-N,N-dipropylhepta-4,6-dien-1-amine
CID 130243422
N-(cyclohexa-1,3-dien-1-ylmethyl)-1-(2-fluoro-4-methylcyclohexa-2,4-dien-1-yl)-N-methylmethanamine
CID 134293845
4-(4-Fluorocyclohepta-1,3,6-trien-1-yl)-1-methylpiperidine
CID 134365551

Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluoro-N,3,8-trimethyl-4,7-dimethylidene-N-propan-2-ylnon-5-en-1-amine?
The IUPAC name of (Z)-2-fluoro-N,3,8-trimethyl-4,7-dimethylidene-N-propan-2-ylnon-5-en-1-amine (CID 176935004) is (Z)-2-fluoro-N,3,8-trimethyl-4,7-dimethylidene-N-propan-2-ylnon-5-en-1-amine.
What is the SMILES notation for (Z)-2-fluoro-N,3,8-trimethyl-4,7-dimethylidene-N-propan-2-ylnon-5-en-1-amine?
The canonical SMILES for (Z)-2-fluoro-N,3,8-trimethyl-4,7-dimethylidene-N-propan-2-ylnon-5-en-1-amine is C=C(/C=C\C(=C)C(C)C(F)CN(C)C(C)C)C(C)C.
What is the InChIKey of (Z)-2-fluoro-N,3,8-trimethyl-4,7-dimethylidene-N-propan-2-ylnon-5-en-1-amine?
The InChIKey is BLFCWNNBCAWINX-KTKRTIGZSA-N. The full InChI is InChI=1S/C17H30FN/c1-12(2)14(5)9-10-15(6)16(7)17(18)11-19(8)13(3)4/h9-10,12-13,16-17H,5-6,11H2,1-4,7-8H3/b10-9-.
What are the key properties of (Z)-2-fluoro-N,3,8-trimethyl-4,7-dimethylidene-N-propan-2-ylnon-5-en-1-amine?
(Z)-2-fluoro-N,3,8-trimethyl-4,7-dimethylidene-N-propan-2-ylnon-5-en-1-amine has a molecular weight of 267.43 g/mol, XLogP of 4.63, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-N,3,8-trimethyl-4,7-dimethylidene-N-propan-2-ylnon-5-en-1-amine is sourced from PubChem (CID 176935004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).