1-(aminomethyl)-N,N-diethyl-3-methoxycyclohexan-1-amine

C12H26N2O — CID 106872100

IUPAC1-(aminomethyl)-N,N-diethyl-3-methoxycyclohexan-1-amine
SMILESCCN(CC)C1(CN)CCCC(OC)C1
InChIInChI=1S/C12H26N2O/c1-4-14(5-2)12(10-13)8-6-7-11(9-12)15-3/h11H,4-10,13H2,1-3H3
InChIKeySMDHEDLPYPZNRS-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.61
Rot. Bonds5

About 1-(aminomethyl)-N,N-diethyl-3-methoxycyclohexan-1-amine

1-(aminomethyl)-N,N-diethyl-3-methoxycyclohexan-1-amine (PubChem CID 106872100) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-(aminomethyl)-N,N-diethyl-3-methoxycyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,N-diethyl-3-methoxycyclohexan-1-amine
PubChem CID106872100
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-(aminomethyl)-N,N-diethyl-3-methoxycyclohexan-1-amine
SMILESCCN(CC)C1(CN)CCCC(OC)C1
InChIInChI=1S/C12H26N2O/c1-4-14(5-2)12(10-13)8-6-7-11(9-12)15-3/h11H,4-10,13H2,1-3H3
InChIKeySMDHEDLPYPZNRS-UHFFFAOYSA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,N-diethyl-3-methoxycyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,N-diethyl-3-methoxycyclohexan-1-amine (CID 106872100) is 1-(aminomethyl)-N,N-diethyl-3-methoxycyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,N-diethyl-3-methoxycyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,N-diethyl-3-methoxycyclohexan-1-amine is CCN(CC)C1(CN)CCCC(OC)C1.
What is the InChIKey of 1-(aminomethyl)-N,N-diethyl-3-methoxycyclohexan-1-amine?
The InChIKey is SMDHEDLPYPZNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-14(5-2)12(10-13)8-6-7-11(9-12)15-3/h11H,4-10,13H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N,N-diethyl-3-methoxycyclohexan-1-amine?
1-(aminomethyl)-N,N-diethyl-3-methoxycyclohexan-1-amine has a molecular weight of 214.35 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,N-diethyl-3-methoxycyclohexan-1-amine is sourced from PubChem (CID 106872100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).