1-(4,4-difluorocyclohexyl)-N-ethylhex-5-en-1-amine

C14H25F2N — CID 105153076

IUPAC1-(4,4-difluorocyclohexyl)-N-ethylhex-5-en-1-amine
SMILESC=CCCCC(NCC)C1CCC(F)(F)CC1
InChIInChI=1S/C14H25F2N/c1-3-5-6-7-13(17-4-2)12-8-10-14(15,16)11-9-12/h3,12-13,17H,1,4-11H2,2H3
InChIKeyNYQXDKSGTDVRLK-UHFFFAOYSA-N
MW245.36 g/mol
LogP4.15
Rot. Bonds7

About 1-(4,4-difluorocyclohexyl)-N-ethylhex-5-en-1-amine

1-(4,4-difluorocyclohexyl)-N-ethylhex-5-en-1-amine (PubChem CID 105153076) has the molecular formula C14H25F2N and a molecular weight of 245.36 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-N-ethylhex-5-en-1-amine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-N-ethylhex-5-en-1-amine
PubChem CID105153076
Molecular FormulaC14H25F2N
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name1-(4,4-difluorocyclohexyl)-N-ethylhex-5-en-1-amine
SMILESC=CCCCC(NCC)C1CCC(F)(F)CC1
InChIInChI=1S/C14H25F2N/c1-3-5-6-7-13(17-4-2)12-8-10-14(15,16)11-9-12/h3,12-13,17H,1,4-11H2,2H3
InChIKeyNYQXDKSGTDVRLK-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3,3-difluorocyclopentyl)-N-propylhex-5-en-1-amine
CID 114216364
2-cyclopropyl-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
CID 105152813
1-(1,1-dioxothiolan-3-yl)-N-ethylhex-5-en-1-amine
CID 115336846
1-(2,2-dimethylcyclohexyl)-N-ethylhex-5-en-1-amine
CID 107189124
1-(4,4-difluorocyclohexyl)-N-ethyl-2-methoxyethanamine
CID 105165589
1-(4,4-difluorocyclohexyl)-N-propylnonan-1-amine
CID 105128102
N-ethyl-1-(thiolan-3-yl)oct-7-en-1-amine
CID 107011890
1-(4,4-difluorocyclohexyl)-N,3-diethylheptan-1-amine
CID 105102951
1-(4,4-difluorocyclohexyl)-2-ethoxy-N-ethylethanamine
CID 105165065
1-(4,4-difluorocyclohexyl)-N-methylbut-3-en-1-amine
CID 105108535
N-ethyl-1-(3-ethylcyclohexyl)oct-7-en-1-amine
CID 107009239
N-ethyl-1-(3-methyloxolan-2-yl)hex-5-en-1-amine
CID 104986910

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-N-ethylhex-5-en-1-amine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-N-ethylhex-5-en-1-amine (CID 105153076) is 1-(4,4-difluorocyclohexyl)-N-ethylhex-5-en-1-amine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-N-ethylhex-5-en-1-amine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-N-ethylhex-5-en-1-amine is C=CCCCC(NCC)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-N-ethylhex-5-en-1-amine?
The InChIKey is NYQXDKSGTDVRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2N/c1-3-5-6-7-13(17-4-2)12-8-10-14(15,16)11-9-12/h3,12-13,17H,1,4-11H2,2H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-N-ethylhex-5-en-1-amine?
1-(4,4-difluorocyclohexyl)-N-ethylhex-5-en-1-amine has a molecular weight of 245.36 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-N-ethylhex-5-en-1-amine is sourced from PubChem (CID 105153076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).