1-(aminomethyl)-4-methoxy-N-methyl-N-pentan-2-ylcyclohexan-1-amine

C14H30N2O — CID 113414453

IUPAC1-(aminomethyl)-4-methoxy-N-methyl-N-pentan-2-ylcyclohexan-1-amine
SMILESCCCC(C)N(C)C1(CN)CCC(OC)CC1
InChIInChI=1S/C14H30N2O/c1-5-6-12(2)16(3)14(11-15)9-7-13(17-4)8-10-14/h12-13H,5-11,15H2,1-4H3
InChIKeyKTZSBQPFYHFHHS-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.39
Rot. Bonds6

About 1-(aminomethyl)-4-methoxy-N-methyl-N-pentan-2-ylcyclohexan-1-amine

1-(aminomethyl)-4-methoxy-N-methyl-N-pentan-2-ylcyclohexan-1-amine (PubChem CID 113414453) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-(aminomethyl)-4-methoxy-N-methyl-N-pentan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-4-methoxy-N-methyl-N-pentan-2-ylcyclohexan-1-amine
PubChem CID113414453
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-(aminomethyl)-4-methoxy-N-methyl-N-pentan-2-ylcyclohexan-1-amine
SMILESCCCC(C)N(C)C1(CN)CCC(OC)CC1
InChIInChI=1S/C14H30N2O/c1-5-6-12(2)16(3)14(11-15)9-7-13(17-4)8-10-14/h12-13H,5-11,15H2,1-4H3
InChIKeyKTZSBQPFYHFHHS-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N,3-dimethyl-N-pentan-2-ylcyclopentan-1-amine
CID 64501372
1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 62704477
1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-4-propylcyclohexan-1-amine
CID 54947055
3-(aminomethyl)-N-methyl-N-pentan-2-ylthiolan-3-amine
CID 43571900
1-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-propylcyclohexan-1-amine
CID 63465758
1-(aminomethyl)-N,3,3,5-tetramethyl-N-pentan-2-ylcyclohexan-1-amine
CID 43571901
1-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)-4-propylcyclohexan-1-amine
CID 63470399
1-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)cyclopropan-1-amine
CID 106661145
1-(aminomethyl)-3-methoxy-N-pentyl-N-propan-2-ylcyclohexan-1-amine
CID 106872349
1-(aminomethyl)-N,4-dimethyl-N-pentan-3-ylcyclohexan-1-amine
CID 43570878
1-(aminomethyl)-N-ethyl-3-methoxy-N-(1-methoxypropan-2-yl)cyclobutan-1-amine
CID 106821943
1-(aminomethyl)-N,2,2-trimethyl-N-pentan-2-ylcyclohexan-1-amine
CID 79836995

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-methoxy-N-methyl-N-pentan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-4-methoxy-N-methyl-N-pentan-2-ylcyclohexan-1-amine (CID 113414453) is 1-(aminomethyl)-4-methoxy-N-methyl-N-pentan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-4-methoxy-N-methyl-N-pentan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-4-methoxy-N-methyl-N-pentan-2-ylcyclohexan-1-amine is CCCC(C)N(C)C1(CN)CCC(OC)CC1.
What is the InChIKey of 1-(aminomethyl)-4-methoxy-N-methyl-N-pentan-2-ylcyclohexan-1-amine?
The InChIKey is KTZSBQPFYHFHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-6-12(2)16(3)14(11-15)9-7-13(17-4)8-10-14/h12-13H,5-11,15H2,1-4H3.
What are the key properties of 1-(aminomethyl)-4-methoxy-N-methyl-N-pentan-2-ylcyclohexan-1-amine?
1-(aminomethyl)-4-methoxy-N-methyl-N-pentan-2-ylcyclohexan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-methoxy-N-methyl-N-pentan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 113414453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).