1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N,2,5-trimethylcyclohexan-1-amine

C14H30N2O — CID 64762162

IUPAC1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N,2,5-trimethylcyclohexan-1-amine
SMILESCOCC(C)N(C)C1(CN)CC(C)CCC1C
InChIInChI=1S/C14H30N2O/c1-11-6-7-12(2)14(8-11,10-15)16(4)13(3)9-17-5/h11-13H,6-10,15H2,1-5H3
InChIKeyPBUVAAYIKXQUKG-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.11
Rot. Bonds5

About 1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N,2,5-trimethylcyclohexan-1-amine

1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N,2,5-trimethylcyclohexan-1-amine (PubChem CID 64762162) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N,2,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N,2,5-trimethylcyclohexan-1-amine
PubChem CID64762162
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N,2,5-trimethylcyclohexan-1-amine
SMILESCOCC(C)N(C)C1(CN)CC(C)CCC1C
InChIInChI=1S/C14H30N2O/c1-11-6-7-12(2)14(8-11,10-15)16(4)13(3)9-17-5/h11-13H,6-10,15H2,1-5H3
InChIKeyPBUVAAYIKXQUKG-UHFFFAOYSA-N
XLogP2.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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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Related Compounds

1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylcyclohexan-1-amine
CID 61453024
1-(aminomethyl)-N-butan-2-yl-N-ethyl-2,5-dimethylcyclohexan-1-amine
CID 64760554
1-(aminomethyl)-N-ethyl-N,2,5-trimethylcyclohexan-1-amine
CID 64760156
1-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-methylcyclopentan-1-amine
CID 65044842
1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylcyclopentan-1-amine
CID 64502008
1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,5-dimethylcyclohexan-1-amine
CID 64762174
1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-2,4,4-trimethylcyclohexan-1-amine
CID 81321382
1-(aminomethyl)-N-ethyl-3-methoxy-N-(1-methoxypropan-2-yl)cyclobutan-1-amine
CID 106821943
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
1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428982
1-(aminomethyl)-N-butan-2-yl-N,2-dimethylcyclopentan-1-amine
CID 65045613

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N,2,5-trimethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N,2,5-trimethylcyclohexan-1-amine (CID 64762162) is 1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N,2,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N,2,5-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N,2,5-trimethylcyclohexan-1-amine is COCC(C)N(C)C1(CN)CC(C)CCC1C.
What is the InChIKey of 1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N,2,5-trimethylcyclohexan-1-amine?
The InChIKey is PBUVAAYIKXQUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-11-6-7-12(2)14(8-11,10-15)16(4)13(3)9-17-5/h11-13H,6-10,15H2,1-5H3.
What are the key properties of 1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N,2,5-trimethylcyclohexan-1-amine?
1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N,2,5-trimethylcyclohexan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N,2,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 64762162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).