1-(aminomethyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine

C12H24N2O — CID 65377348

IUPAC1-(aminomethyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
SMILESNCC1(NCC2CCCO2)CCCCC1
InChIInChI=1S/C12H24N2O/c13-10-12(6-2-1-3-7-12)14-9-11-5-4-8-15-11/h11,14H,1-10,13H2
InChIKeyMCTYTZCWHQVALW-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.42
Rot. Bonds4

About 1-(aminomethyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine

1-(aminomethyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine (PubChem CID 65377348) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
PubChem CID65377348
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-(aminomethyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
SMILESNCC1(NCC2CCCO2)CCCCC1
InChIInChI=1S/C12H24N2O/c13-10-12(6-2-1-3-7-12)14-9-11-5-4-8-15-11/h11,14H,1-10,13H2
InChIKeyMCTYTZCWHQVALW-UHFFFAOYSA-N
XLogP1.42
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine (CID 65377348) is 1-(aminomethyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine is NCC1(NCC2CCCO2)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is MCTYTZCWHQVALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c13-10-12(6-2-1-3-7-12)14-9-11-5-4-8-15-11/h11,14H,1-10,13H2.
What are the key properties of 1-(aminomethyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
1-(aminomethyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 212.34 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 65377348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).