1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylcyclohexane-1-carboxamide

C17H32N2O2 — CID 115441735

IUPAC1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylcyclohexane-1-carboxamide
SMILESCOCCN(C(=O)C1(CN)CCC(C)CC1)C(C)C1CC1
InChIInChI=1S/C17H32N2O2/c1-13-6-8-17(12-18,9-7-13)16(20)19(10-11-21-3)14(2)15-4-5-15/h13-15H,4-12,18H2,1-3H3
InChIKeyAJNXNUQMXIACSL-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.42
Rot. Bonds7

About 1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylcyclohexane-1-carboxamide

1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylcyclohexane-1-carboxamide (PubChem CID 115441735) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylcyclohexane-1-carboxamide
PubChem CID115441735
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylcyclohexane-1-carboxamide
SMILESCOCCN(C(=O)C1(CN)CCC(C)CC1)C(C)C1CC1
InChIInChI=1S/C17H32N2O2/c1-13-6-8-17(12-18,9-7-13)16(20)19(10-11-21-3)14(2)15-4-5-15/h13-15H,4-12,18H2,1-3H3
InChIKeyAJNXNUQMXIACSL-UHFFFAOYSA-N
XLogP2.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(1-cyclopropylethyl)-N,4-dimethylcyclohexane-1-carboxamide
CID 115441526
1-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-methylcyclohexane-1-carboxamide
CID 64549832
1-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide
CID 54872120
1-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclobutane-1-carboxamide
CID 82947993
1-cyano-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-methylcyclobutane-1-carboxamide
CID 80597899
1-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)cyclobutane-1-carboxamide
CID 80587697
1-(aminomethyl)-N-(cyclopropylmethyl)-4-methyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 115441989
2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)propanamide
CID 60948418
1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 115434980
N-(1-cyclopropylethyl)-2-hydroxy-N-(2-methoxyethyl)-2-methylpropanamide
CID 103429770
cis-(1S,2R)-2-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 114091974
N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-methylpiperidine-1-carboxamide
CID 116655031

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylcyclohexane-1-carboxamide (CID 115441735) is 1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylcyclohexane-1-carboxamide is COCCN(C(=O)C1(CN)CCC(C)CC1)C(C)C1CC1.
What is the InChIKey of 1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylcyclohexane-1-carboxamide?
The InChIKey is AJNXNUQMXIACSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-13-6-8-17(12-18,9-7-13)16(20)19(10-11-21-3)14(2)15-4-5-15/h13-15H,4-12,18H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylcyclohexane-1-carboxamide?
1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylcyclohexane-1-carboxamide has a molecular weight of 296.45 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 115441735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).