1-(aminomethyl)-N-butyl-N-ethyl-3-methoxycyclohexan-1-amine

C14H30N2O — CID 106872142

IUPAC1-(aminomethyl)-N-butyl-N-ethyl-3-methoxycyclohexan-1-amine
SMILESCCCCN(CC)C1(CN)CCCC(OC)C1
InChIInChI=1S/C14H30N2O/c1-4-6-10-16(5-2)14(12-15)9-7-8-13(11-14)17-3/h13H,4-12,15H2,1-3H3
InChIKeyIZFNWTONCUGTOX-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.39
Rot. Bonds7

About 1-(aminomethyl)-N-butyl-N-ethyl-3-methoxycyclohexan-1-amine

1-(aminomethyl)-N-butyl-N-ethyl-3-methoxycyclohexan-1-amine (PubChem CID 106872142) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-(aminomethyl)-N-butyl-N-ethyl-3-methoxycyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-butyl-N-ethyl-3-methoxycyclohexan-1-amine
PubChem CID106872142
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-(aminomethyl)-N-butyl-N-ethyl-3-methoxycyclohexan-1-amine
SMILESCCCCN(CC)C1(CN)CCCC(OC)C1
InChIInChI=1S/C14H30N2O/c1-4-6-10-16(5-2)14(12-15)9-7-8-13(11-14)17-3/h13H,4-12,15H2,1-3H3
InChIKeyIZFNWTONCUGTOX-UHFFFAOYSA-N
XLogP2.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-butyl-N-ethyl-3-methoxycyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-butyl-N-ethyl-3-methoxycyclohexan-1-amine (CID 106872142) is 1-(aminomethyl)-N-butyl-N-ethyl-3-methoxycyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-butyl-N-ethyl-3-methoxycyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-butyl-N-ethyl-3-methoxycyclohexan-1-amine is CCCCN(CC)C1(CN)CCCC(OC)C1.
What is the InChIKey of 1-(aminomethyl)-N-butyl-N-ethyl-3-methoxycyclohexan-1-amine?
The InChIKey is IZFNWTONCUGTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-6-10-16(5-2)14(12-15)9-7-8-13(11-14)17-3/h13H,4-12,15H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-butyl-N-ethyl-3-methoxycyclohexan-1-amine?
1-(aminomethyl)-N-butyl-N-ethyl-3-methoxycyclohexan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-butyl-N-ethyl-3-methoxycyclohexan-1-amine is sourced from PubChem (CID 106872142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).