6-[4-(aminomethyl)cyclohexyl]oxy-N-methyl-N-pentylhexan-1-amine

C19H40N2O — CID 70021760

IUPAC6-[4-(aminomethyl)cyclohexyl]oxy-N-methyl-N-pentylhexan-1-amine
SMILESCCCCCN(C)CCCCCCOC1CCC(CN)CC1
InChIInChI=1S/C19H40N2O/c1-3-4-7-14-21(2)15-8-5-6-9-16-22-19-12-10-18(17-20)11-13-19/h18-19H,3-17,20H2,1-2H3
InChIKeyYJRAGMVSOUMAJJ-UHFFFAOYSA-N
MW312.54 g/mol
LogP4.20
Rot. Bonds13

About 6-[4-(aminomethyl)cyclohexyl]oxy-N-methyl-N-pentylhexan-1-amine

6-[4-(aminomethyl)cyclohexyl]oxy-N-methyl-N-pentylhexan-1-amine (PubChem CID 70021760) has the molecular formula C19H40N2O and a molecular weight of 312.54 g/mol. Its IUPAC name is 6-[4-(aminomethyl)cyclohexyl]oxy-N-methyl-N-pentylhexan-1-amine.

Molecular Properties

Compound Name6-[4-(aminomethyl)cyclohexyl]oxy-N-methyl-N-pentylhexan-1-amine
PubChem CID70021760
Molecular FormulaC19H40N2O
Molecular Weight312.54 g/mol
Exact Mass312.31
IUPAC Name6-[4-(aminomethyl)cyclohexyl]oxy-N-methyl-N-pentylhexan-1-amine
SMILESCCCCCN(C)CCCCCCOC1CCC(CN)CC1
InChIInChI=1S/C19H40N2O/c1-3-4-7-14-21(2)15-8-5-6-9-16-22-19-12-10-18(17-20)11-13-19/h18-19H,3-17,20H2,1-2H3
InChIKeyYJRAGMVSOUMAJJ-UHFFFAOYSA-N
XLogP4.20
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.54
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 6-[4-(aminomethyl)cyclohexyl]oxy-N-methyl-N-pentylhexan-1-amine?
The IUPAC name of 6-[4-(aminomethyl)cyclohexyl]oxy-N-methyl-N-pentylhexan-1-amine (CID 70021760) is 6-[4-(aminomethyl)cyclohexyl]oxy-N-methyl-N-pentylhexan-1-amine.
What is the SMILES notation for 6-[4-(aminomethyl)cyclohexyl]oxy-N-methyl-N-pentylhexan-1-amine?
The canonical SMILES for 6-[4-(aminomethyl)cyclohexyl]oxy-N-methyl-N-pentylhexan-1-amine is CCCCCN(C)CCCCCCOC1CCC(CN)CC1.
What is the InChIKey of 6-[4-(aminomethyl)cyclohexyl]oxy-N-methyl-N-pentylhexan-1-amine?
The InChIKey is YJRAGMVSOUMAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2O/c1-3-4-7-14-21(2)15-8-5-6-9-16-22-19-12-10-18(17-20)11-13-19/h18-19H,3-17,20H2,1-2H3.
What are the key properties of 6-[4-(aminomethyl)cyclohexyl]oxy-N-methyl-N-pentylhexan-1-amine?
6-[4-(aminomethyl)cyclohexyl]oxy-N-methyl-N-pentylhexan-1-amine has a molecular weight of 312.54 g/mol, XLogP of 4.20, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(aminomethyl)cyclohexyl]oxy-N-methyl-N-pentylhexan-1-amine is sourced from PubChem (CID 70021760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).