3-(4-cyclopropylcyclohexa-1,5-dien-1-yl)-1-fluoropentan-2-amine

C14H22FN — CID 134316560

IUPAC3-(4-cyclopropylcyclohexa-1,5-dien-1-yl)-1-fluoropentan-2-amine
SMILESCCC(C1=CCC(C2CC2)C=C1)C(N)CF
InChIInChI=1S/C14H22FN/c1-2-13(14(16)9-15)12-7-5-11(6-8-12)10-3-4-10/h5,7-8,10-11,13-14H,2-4,6,9,16H2,1H3
InChIKeySJRSJERTFWBJAP-UHFFFAOYSA-N
MW223.33 g/mol
LogP3.22
Rot. Bonds5

About 3-(4-cyclopropylcyclohexa-1,5-dien-1-yl)-1-fluoropentan-2-amine

3-(4-cyclopropylcyclohexa-1,5-dien-1-yl)-1-fluoropentan-2-amine (PubChem CID 134316560) has the molecular formula C14H22FN and a molecular weight of 223.33 g/mol. Its IUPAC name is 3-(4-cyclopropylcyclohexa-1,5-dien-1-yl)-1-fluoropentan-2-amine.

Molecular Properties

Compound Name3-(4-cyclopropylcyclohexa-1,5-dien-1-yl)-1-fluoropentan-2-amine
PubChem CID134316560
Molecular FormulaC14H22FN
Molecular Weight223.33 g/mol
Exact Mass223.17
IUPAC Name3-(4-cyclopropylcyclohexa-1,5-dien-1-yl)-1-fluoropentan-2-amine
SMILESCCC(C1=CCC(C2CC2)C=C1)C(N)CF
InChIInChI=1S/C14H22FN/c1-2-13(14(16)9-15)12-7-5-11(6-8-12)10-3-4-10/h5,7-8,10-11,13-14H,2-4,6,9,16H2,1H3
InChIKeySJRSJERTFWBJAP-UHFFFAOYSA-N
XLogP3.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Cyclopropyl-4-fluorocyclohexa-3,5-diene-1,2-diamine
CID 66847603
3-Fluoro-4-methyl-6-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 68028129
6-(2,2-Dimethylpropyl)-3-fluoro-4-methylcyclohexa-2,4-dien-1-amine
CID 68045081
6-Fluoro-6-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 68854686
1-[(6R)-4-ethyl-6-fluoro-3-methylcyclohexa-2,4-dien-1-yl]ethanamine
CID 89318310
1-[(5R)-2-fluoro-5-methylcyclohexa-1,3-dien-1-yl]ethanamine
CID 89318381
6-[2-(2-Ethyl-2-fluoro-3-methylbutyl)cyclopropyl]-3-ethylideneocta-4,6-dien-2-amine
CID 90898692
cis-(1R,2S)-2-(3,4-difluorocyclohexa-2,4-dien-1-yl)cyclopropan-1-amine
CID 118618036
(1S)-1-[(1S)-4-fluorocyclohexa-2,4-dien-1-yl]ethanamine
CID 122546328
1-Fluoro-3-[4-(2-methylbutyl)cyclohexa-1,5-dien-1-yl]pentan-2-amine
CID 134316413
1-Fluoro-3-(4-prop-2-enylcyclohexa-1,5-dien-1-yl)butan-2-amine
CID 134316461
1-fluoro-3-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]cyclohexa-1,5-dien-1-yl]pentan-2-amine
CID 134316547

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropylcyclohexa-1,5-dien-1-yl)-1-fluoropentan-2-amine?
The IUPAC name of 3-(4-cyclopropylcyclohexa-1,5-dien-1-yl)-1-fluoropentan-2-amine (CID 134316560) is 3-(4-cyclopropylcyclohexa-1,5-dien-1-yl)-1-fluoropentan-2-amine.
What is the SMILES notation for 3-(4-cyclopropylcyclohexa-1,5-dien-1-yl)-1-fluoropentan-2-amine?
The canonical SMILES for 3-(4-cyclopropylcyclohexa-1,5-dien-1-yl)-1-fluoropentan-2-amine is CCC(C1=CCC(C2CC2)C=C1)C(N)CF.
What is the InChIKey of 3-(4-cyclopropylcyclohexa-1,5-dien-1-yl)-1-fluoropentan-2-amine?
The InChIKey is SJRSJERTFWBJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-2-13(14(16)9-15)12-7-5-11(6-8-12)10-3-4-10/h5,7-8,10-11,13-14H,2-4,6,9,16H2,1H3.
What are the key properties of 3-(4-cyclopropylcyclohexa-1,5-dien-1-yl)-1-fluoropentan-2-amine?
3-(4-cyclopropylcyclohexa-1,5-dien-1-yl)-1-fluoropentan-2-amine has a molecular weight of 223.33 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropylcyclohexa-1,5-dien-1-yl)-1-fluoropentan-2-amine is sourced from PubChem (CID 134316560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).