2-(aminomethyl)-N-(3-methoxy-3-methylbutyl)-N-methylcyclohexan-1-amine

C14H30N2O — CID 103034859

IUPAC2-(aminomethyl)-N-(3-methoxy-3-methylbutyl)-N-methylcyclohexan-1-amine
SMILESCOC(C)(C)CCN(C)C1CCCCC1CN
InChIInChI=1S/C14H30N2O/c1-14(2,17-4)9-10-16(3)13-8-6-5-7-12(13)11-15/h12-13H,5-11,15H2,1-4H3
InChIKeyPQIAHPSPBDZAPM-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.25
Rot. Bonds6

About 2-(aminomethyl)-N-(3-methoxy-3-methylbutyl)-N-methylcyclohexan-1-amine

2-(aminomethyl)-N-(3-methoxy-3-methylbutyl)-N-methylcyclohexan-1-amine (PubChem CID 103034859) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-methoxy-3-methylbutyl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-methoxy-3-methylbutyl)-N-methylcyclohexan-1-amine
PubChem CID103034859
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-(aminomethyl)-N-(3-methoxy-3-methylbutyl)-N-methylcyclohexan-1-amine
SMILESCOC(C)(C)CCN(C)C1CCCCC1CN
InChIInChI=1S/C14H30N2O/c1-14(2,17-4)9-10-16(3)13-8-6-5-7-12(13)11-15/h12-13H,5-11,15H2,1-4H3
InChIKeyPQIAHPSPBDZAPM-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-methoxy-3-methylbutyl)-N-methylcyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-(3-methoxy-3-methylbutyl)-N-methylcyclohexan-1-amine (CID 103034859) is 2-(aminomethyl)-N-(3-methoxy-3-methylbutyl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-(3-methoxy-3-methylbutyl)-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-(3-methoxy-3-methylbutyl)-N-methylcyclohexan-1-amine is COC(C)(C)CCN(C)C1CCCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-(3-methoxy-3-methylbutyl)-N-methylcyclohexan-1-amine?
The InChIKey is PQIAHPSPBDZAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-14(2,17-4)9-10-16(3)13-8-6-5-7-12(13)11-15/h12-13H,5-11,15H2,1-4H3.
What are the key properties of 2-(aminomethyl)-N-(3-methoxy-3-methylbutyl)-N-methylcyclohexan-1-amine?
2-(aminomethyl)-N-(3-methoxy-3-methylbutyl)-N-methylcyclohexan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-methoxy-3-methylbutyl)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 103034859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).