4,4-difluoro-N-[4-methyl-5-[1-(4-methylpent-4-enyl)piperidin-3-yl]pentyl]cyclohexan-1-amine

C23H42F2N2 — CID 142528853

IUPAC4,4-difluoro-N-[4-methyl-5-[1-(4-methylpent-4-enyl)piperidin-3-yl]pentyl]cyclohexan-1-amine
SMILESC=C(C)CCCN1CCCC(CC(C)CCCNC2CCC(F)(F)CC2)C1
InChIInChI=1S/C23H42F2N2/c1-19(2)7-5-15-27-16-6-9-21(18-27)17-20(3)8-4-14-26-22-10-12-23(24,25)13-11-22/h20-22,26H,1,4-18H2,2-3H3
InChIKeySATIQJGAADQUOP-UHFFFAOYSA-N
MW384.60 g/mol
LogP6.03
Rot. Bonds11

About 4,4-difluoro-N-[4-methyl-5-[1-(4-methylpent-4-enyl)piperidin-3-yl]pentyl]cyclohexan-1-amine

4,4-difluoro-N-[4-methyl-5-[1-(4-methylpent-4-enyl)piperidin-3-yl]pentyl]cyclohexan-1-amine (PubChem CID 142528853) has the molecular formula C23H42F2N2 and a molecular weight of 384.60 g/mol. Its IUPAC name is 4,4-difluoro-N-[4-methyl-5-[1-(4-methylpent-4-enyl)piperidin-3-yl]pentyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4,4-difluoro-N-[4-methyl-5-[1-(4-methylpent-4-enyl)piperidin-3-yl]pentyl]cyclohexan-1-amine
PubChem CID142528853
Molecular FormulaC23H42F2N2
Molecular Weight384.60 g/mol
Exact Mass384.33
IUPAC Name4,4-difluoro-N-[4-methyl-5-[1-(4-methylpent-4-enyl)piperidin-3-yl]pentyl]cyclohexan-1-amine
SMILESC=C(C)CCCN1CCCC(CC(C)CCCNC2CCC(F)(F)CC2)C1
InChIInChI=1S/C23H42F2N2/c1-19(2)7-5-15-27-16-6-9-21(18-27)17-20(3)8-4-14-26-22-10-12-23(24,25)13-11-22/h20-22,26H,1,4-18H2,2-3H3
InChIKeySATIQJGAADQUOP-UHFFFAOYSA-N
XLogP6.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.60
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,4-difluoro-N-[4-methyl-5-[1-(4-methylpent-4-enyl)piperidin-3-yl]pentyl]cyclohexan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

1-[1-[(5R)-2,5-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]heptyl]piperazine
CID 68330524
2-[5-(Trifluoromethyl)hept-1-en-2-yl]piperidine
CID 70329148
4,4-difluoro-N-[5-(1-hexylpiperidin-3-yl)-4-methylpentyl]cyclohexan-1-amine
CID 142528823
cis-(1R,6R)-2,2-difluoro-6-[4-[propan-2-yl(propyl)amino]but-1-en-2-yl]cyclohexan-1-amine
CID 156429557
ethane;(5E,6Z)-5-ethylidene-N-methyl-6-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]nona-6,8-dien-4-amine
CID 166157663
3,3-Difluoro-1-methyl-5-[1-(5-prop-1-en-2-ylpiperidin-3-yl)propan-2-yl]piperidine
CID 170402741
1-(4,4-difluorocyclohexyl)-N-ethyl-3-methylbut-3-en-1-amine
CID 105162988
N-ethyl-3-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
CID 105162991
3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
CID 105162995
N-ethyl-3-methyl-1-[4-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
CID 105163027
1-(4,4-difluorocyclohexyl)-3-methyl-N-propylbut-3-en-1-amine
CID 105163075
N,3-dimethyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
CID 105163093

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[4-methyl-5-[1-(4-methylpent-4-enyl)piperidin-3-yl]pentyl]cyclohexan-1-amine?
The IUPAC name of 4,4-difluoro-N-[4-methyl-5-[1-(4-methylpent-4-enyl)piperidin-3-yl]pentyl]cyclohexan-1-amine (CID 142528853) is 4,4-difluoro-N-[4-methyl-5-[1-(4-methylpent-4-enyl)piperidin-3-yl]pentyl]cyclohexan-1-amine.
What is the SMILES notation for 4,4-difluoro-N-[4-methyl-5-[1-(4-methylpent-4-enyl)piperidin-3-yl]pentyl]cyclohexan-1-amine?
The canonical SMILES for 4,4-difluoro-N-[4-methyl-5-[1-(4-methylpent-4-enyl)piperidin-3-yl]pentyl]cyclohexan-1-amine is C=C(C)CCCN1CCCC(CC(C)CCCNC2CCC(F)(F)CC2)C1.
What is the InChIKey of 4,4-difluoro-N-[4-methyl-5-[1-(4-methylpent-4-enyl)piperidin-3-yl]pentyl]cyclohexan-1-amine?
The InChIKey is SATIQJGAADQUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42F2N2/c1-19(2)7-5-15-27-16-6-9-21(18-27)17-20(3)8-4-14-26-22-10-12-23(24,25)13-11-22/h20-22,26H,1,4-18H2,2-3H3.
What are the key properties of 4,4-difluoro-N-[4-methyl-5-[1-(4-methylpent-4-enyl)piperidin-3-yl]pentyl]cyclohexan-1-amine?
4,4-difluoro-N-[4-methyl-5-[1-(4-methylpent-4-enyl)piperidin-3-yl]pentyl]cyclohexan-1-amine has a molecular weight of 384.60 g/mol, XLogP of 6.03, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[4-methyl-5-[1-(4-methylpent-4-enyl)piperidin-3-yl]pentyl]cyclohexan-1-amine is sourced from PubChem (CID 142528853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).