1-(aminomethyl)-4,4-difluoro-N-pentyl-N-propylcyclohexan-1-amine

C15H30F2N2 — CID 134567032

IUPAC1-(aminomethyl)-4,4-difluoro-N-pentyl-N-propylcyclohexan-1-amine
SMILESCCCCCN(CCC)C1(CN)CCC(F)(F)CC1
InChIInChI=1S/C15H30F2N2/c1-3-5-6-12-19(11-4-2)14(13-18)7-9-15(16,17)10-8-14/h3-13,18H2,1-2H3
InChIKeyGLOZHQLYAVDPCN-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.80
Rot. Bonds8

About 1-(aminomethyl)-4,4-difluoro-N-pentyl-N-propylcyclohexan-1-amine

1-(aminomethyl)-4,4-difluoro-N-pentyl-N-propylcyclohexan-1-amine (PubChem CID 134567032) has the molecular formula C15H30F2N2 and a molecular weight of 276.41 g/mol. Its IUPAC name is 1-(aminomethyl)-4,4-difluoro-N-pentyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-4,4-difluoro-N-pentyl-N-propylcyclohexan-1-amine
PubChem CID134567032
Molecular FormulaC15H30F2N2
Molecular Weight276.41 g/mol
Exact Mass276.24
IUPAC Name1-(aminomethyl)-4,4-difluoro-N-pentyl-N-propylcyclohexan-1-amine
SMILESCCCCCN(CCC)C1(CN)CCC(F)(F)CC1
InChIInChI=1S/C15H30F2N2/c1-3-5-6-12-19(11-4-2)14(13-18)7-9-15(16,17)10-8-14/h3-13,18H2,1-2H3
InChIKeyGLOZHQLYAVDPCN-UHFFFAOYSA-N
XLogP3.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4,4-difluoro-N-pentyl-N-propylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-4,4-difluoro-N-pentyl-N-propylcyclohexan-1-amine (CID 134567032) is 1-(aminomethyl)-4,4-difluoro-N-pentyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-4,4-difluoro-N-pentyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-4,4-difluoro-N-pentyl-N-propylcyclohexan-1-amine is CCCCCN(CCC)C1(CN)CCC(F)(F)CC1.
What is the InChIKey of 1-(aminomethyl)-4,4-difluoro-N-pentyl-N-propylcyclohexan-1-amine?
The InChIKey is GLOZHQLYAVDPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30F2N2/c1-3-5-6-12-19(11-4-2)14(13-18)7-9-15(16,17)10-8-14/h3-13,18H2,1-2H3.
What are the key properties of 1-(aminomethyl)-4,4-difluoro-N-pentyl-N-propylcyclohexan-1-amine?
1-(aminomethyl)-4,4-difluoro-N-pentyl-N-propylcyclohexan-1-amine has a molecular weight of 276.41 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4,4-difluoro-N-pentyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 134567032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).