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

C15H32N2O — CID 55106487

IUPAC1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCCN(CCOC)C1(CN)CCC(C(C)C)CC1
InChIInChI=1S/C15H32N2O/c1-5-17(10-11-18-4)15(12-16)8-6-14(7-9-15)13(2)3/h13-14H,5-12,16H2,1-4H3
InChIKeyGSYCQVPRWMOFGY-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.50
Rot. Bonds7

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

1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4-propan-2-ylcyclohexan-1-amine (PubChem CID 55106487) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4-propan-2-ylcyclohexan-1-amine
PubChem CID55106487
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCCN(CCOC)C1(CN)CCC(C(C)C)CC1
InChIInChI=1S/C15H32N2O/c1-5-17(10-11-18-4)15(12-16)8-6-14(7-9-15)13(2)3/h13-14H,5-12,16H2,1-4H3
InChIKeyGSYCQVPRWMOFGY-UHFFFAOYSA-N
XLogP2.50
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4-propan-2-ylcyclohexan-1-amine (CID 55106487) is 1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4-propan-2-ylcyclohexan-1-amine is CCN(CCOC)C1(CN)CCC(C(C)C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is GSYCQVPRWMOFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-17(10-11-18-4)15(12-16)8-6-14(7-9-15)13(2)3/h13-14H,5-12,16H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4-propan-2-ylcyclohexan-1-amine?
1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 256.43 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 55106487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).