N-decyl-4,4-difluorocyclohexan-1-amine

C16H31F2N — CID 158702871

IUPACN-decyl-4,4-difluorocyclohexan-1-amine
SMILESCCCCCCCCCCNC1CCC(F)(F)CC1
InChIInChI=1S/C16H31F2N/c1-2-3-4-5-6-7-8-9-14-19-15-10-12-16(17,18)13-11-15/h15,19H,2-14H2,1H3
InChIKeyTYIPUWRVYMXRLS-UHFFFAOYSA-N
MW275.43 g/mol
LogP5.29
Rot. Bonds10

About N-decyl-4,4-difluorocyclohexan-1-amine

N-decyl-4,4-difluorocyclohexan-1-amine (PubChem CID 158702871) has the molecular formula C16H31F2N and a molecular weight of 275.43 g/mol. Its IUPAC name is N-decyl-4,4-difluorocyclohexan-1-amine.

Molecular Properties

Compound NameN-decyl-4,4-difluorocyclohexan-1-amine
PubChem CID158702871
Molecular FormulaC16H31F2N
Molecular Weight275.43 g/mol
Exact Mass275.24
IUPAC NameN-decyl-4,4-difluorocyclohexan-1-amine
SMILESCCCCCCCCCCNC1CCC(F)(F)CC1
InChIInChI=1S/C16H31F2N/c1-2-3-4-5-6-7-8-9-14-19-15-10-12-16(17,18)13-11-15/h15,19H,2-14H2,1H3
InChIKeyTYIPUWRVYMXRLS-UHFFFAOYSA-N
XLogP5.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.43
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-dodecylcyclohexanamine
CID 3679395
N-hexyl-4-propan-2-ylcyclohexan-1-amine
CID 63421018
N'-cyclopropyl-N-decylpropane-1,3-diamine
CID 113410376
4-chloro-N-decylcyclohexan-1-amine
CID 65024074
4-chloro-N-hexylcyclohexan-1-amine
CID 65024365
4-chloro-N-octylcyclohexan-1-amine
CID 65023952
N-decyl-4-ethylcyclohexan-1-amine
CID 63492402
N-pentyl-4-propan-2-ylcyclohexan-1-amine
CID 63418461
N-butyl-4,4-dimethylcycloheptan-1-amine
CID 65082955
N,N'-dicyclopropyloctane-1,8-diamine
CID 66337537
3-methyl-N-octylcyclopentan-1-amine
CID 115566670
1-cyclopropyl-N-heptylpiperidin-4-amine
CID 43747044

Frequently Asked Questions

What is the IUPAC name of N-decyl-4,4-difluorocyclohexan-1-amine?
The IUPAC name of N-decyl-4,4-difluorocyclohexan-1-amine (CID 158702871) is N-decyl-4,4-difluorocyclohexan-1-amine.
What is the SMILES notation for N-decyl-4,4-difluorocyclohexan-1-amine?
The canonical SMILES for N-decyl-4,4-difluorocyclohexan-1-amine is CCCCCCCCCCNC1CCC(F)(F)CC1.
What is the InChIKey of N-decyl-4,4-difluorocyclohexan-1-amine?
The InChIKey is TYIPUWRVYMXRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31F2N/c1-2-3-4-5-6-7-8-9-14-19-15-10-12-16(17,18)13-11-15/h15,19H,2-14H2,1H3.
What are the key properties of N-decyl-4,4-difluorocyclohexan-1-amine?
N-decyl-4,4-difluorocyclohexan-1-amine has a molecular weight of 275.43 g/mol, XLogP of 5.29, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-4,4-difluorocyclohexan-1-amine is sourced from PubChem (CID 158702871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).