1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine

C14H30N2O — CID 55106486

IUPAC1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine
SMILESCOCCN(C)C1(CN)CCC(C(C)C)CC1
InChIInChI=1S/C14H30N2O/c1-12(2)13-5-7-14(11-15,8-6-13)16(3)9-10-17-4/h12-13H,5-11,15H2,1-4H3
InChIKeyLEOAVNDINBEUFN-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.11
Rot. Bonds6

About 1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine

1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine (PubChem CID 55106486) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine
PubChem CID55106486
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine
SMILESCOCCN(C)C1(CN)CCC(C(C)C)CC1
InChIInChI=1S/C14H30N2O/c1-12(2)13-5-7-14(11-15,8-6-13)16(3)9-10-17-4/h12-13H,5-11,15H2,1-4H3
InChIKeyLEOAVNDINBEUFN-UHFFFAOYSA-N
XLogP2.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine (CID 55106486) is 1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine is COCCN(C)C1(CN)CCC(C(C)C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is LEOAVNDINBEUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-12(2)13-5-7-14(11-15,8-6-13)16(3)9-10-17-4/h12-13H,5-11,15H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine?
1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 55106486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).