4-[(4-aminocyclohexyl)methyl]-2,2-dipentylcyclohexan-1-amine

C23H46N2 — CID 66973526

IUPAC4-[(4-aminocyclohexyl)methyl]-2,2-dipentylcyclohexan-1-amine
SMILESCCCCCC1(CCCCC)CC(CC2CCC(N)CC2)CCC1N
InChIInChI=1S/C23H46N2/c1-3-5-7-15-23(16-8-6-4-2)18-20(11-14-22(23)25)17-19-9-12-21(24)13-10-19/h19-22H,3-18,24-25H2,1-2H3
InChIKeyTXQULLJPFQDVNL-UHFFFAOYSA-N
MW350.64 g/mol
LogP6.17
Rot. Bonds10

About 4-[(4-aminocyclohexyl)methyl]-2,2-dipentylcyclohexan-1-amine

4-[(4-aminocyclohexyl)methyl]-2,2-dipentylcyclohexan-1-amine (PubChem CID 66973526) has the molecular formula C23H46N2 and a molecular weight of 350.64 g/mol. Its IUPAC name is 4-[(4-aminocyclohexyl)methyl]-2,2-dipentylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[(4-aminocyclohexyl)methyl]-2,2-dipentylcyclohexan-1-amine
PubChem CID66973526
Molecular FormulaC23H46N2
Molecular Weight350.64 g/mol
Exact Mass350.37
IUPAC Name4-[(4-aminocyclohexyl)methyl]-2,2-dipentylcyclohexan-1-amine
SMILESCCCCCC1(CCCCC)CC(CC2CCC(N)CC2)CCC1N
InChIInChI=1S/C23H46N2/c1-3-5-7-15-23(16-8-6-4-2)18-20(11-14-22(23)25)17-19-9-12-21(24)13-10-19/h19-22H,3-18,24-25H2,1-2H3
InChIKeyTXQULLJPFQDVNL-UHFFFAOYSA-N
XLogP6.17
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.64
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;ethane
CID 159510225
4-(cyclopropylmethyl)cyclohexan-1-amine
CID 126845684
8-[3-(8-aminooctyl)-4-hexyl-3-octylcyclohexyl]octan-1-amine
CID 154946343
4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;hydrofluoride
CID 70522175
4-methylcyclohexan-1-amine;undecane
CID 175032759
4-(4-pentylcyclohexyl)cyclohexan-1-amine
CID 86168777
4-fluoro-4-nonylcyclohexan-1-amine
CID 112562508
2-bromo-1,1-dihexylcyclopropane
CID 71500159
4-(cyclopentylmethyl)cyclohexan-1-amine
CID 3523250
4-[4-(4-aminocyclohexyl)heptan-4-yl]cyclohexan-1-amine;4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine
CID 70405450
(2-octyl-7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
CID 65394473
4-[[4-(aminomethyl)cyclohexyl]methyl]cyclohexan-1-amine
CID 54348885

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminocyclohexyl)methyl]-2,2-dipentylcyclohexan-1-amine?
The IUPAC name of 4-[(4-aminocyclohexyl)methyl]-2,2-dipentylcyclohexan-1-amine (CID 66973526) is 4-[(4-aminocyclohexyl)methyl]-2,2-dipentylcyclohexan-1-amine.
What is the SMILES notation for 4-[(4-aminocyclohexyl)methyl]-2,2-dipentylcyclohexan-1-amine?
The canonical SMILES for 4-[(4-aminocyclohexyl)methyl]-2,2-dipentylcyclohexan-1-amine is CCCCCC1(CCCCC)CC(CC2CCC(N)CC2)CCC1N.
What is the InChIKey of 4-[(4-aminocyclohexyl)methyl]-2,2-dipentylcyclohexan-1-amine?
The InChIKey is TXQULLJPFQDVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N2/c1-3-5-7-15-23(16-8-6-4-2)18-20(11-14-22(23)25)17-19-9-12-21(24)13-10-19/h19-22H,3-18,24-25H2,1-2H3.
What are the key properties of 4-[(4-aminocyclohexyl)methyl]-2,2-dipentylcyclohexan-1-amine?
4-[(4-aminocyclohexyl)methyl]-2,2-dipentylcyclohexan-1-amine has a molecular weight of 350.64 g/mol, XLogP of 6.17, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminocyclohexyl)methyl]-2,2-dipentylcyclohexan-1-amine is sourced from PubChem (CID 66973526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).