ethane;N-methylcyclohexanamine;N-methyl-1-phenylmethanamine

C19H38N2 — CID 162733997

IUPACethane;N-methylcyclohexanamine;N-methyl-1-phenylmethanamine
SMILESCC.CC.CNC1CCCCC1.CNCc1ccccc1
InChIInChI=1S/C8H11N.C7H15N.2C2H6/c1-9-7-8-5-3-2-4-6-8;1-8-7-5-3-2-4-6-7;2*1-2/h2-6,9H,7H2,1H3;7-8H,2-6H2,1H3;2*1-2H3
InChIKeyMBDRAYHVDUXSMH-UHFFFAOYSA-N
MW294.53 g/mol
LogP5.00
Rot. Bonds3

About ethane;N-methylcyclohexanamine;N-methyl-1-phenylmethanamine

ethane;N-methylcyclohexanamine;N-methyl-1-phenylmethanamine (PubChem CID 162733997) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is ethane;N-methylcyclohexanamine;N-methyl-1-phenylmethanamine.

Molecular Properties

Compound Nameethane;N-methylcyclohexanamine;N-methyl-1-phenylmethanamine
PubChem CID162733997
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Nameethane;N-methylcyclohexanamine;N-methyl-1-phenylmethanamine
SMILESCC.CC.CNC1CCCCC1.CNCc1ccccc1
InChIInChI=1S/C8H11N.C7H15N.2C2H6/c1-9-7-8-5-3-2-4-6-8;1-8-7-5-3-2-4-6-7;2*1-2/h2-6,9H,7H2,1H3;7-8H,2-6H2,1H3;2*1-2H3
InChIKeyMBDRAYHVDUXSMH-UHFFFAOYSA-N
XLogP5.00
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Methamphetamine
CID 10836
Benzphetamine
CID 5311017
N-Methylbenzylamine
CID 7669
Levmetamfetamine
CID 36604
1-Phenethylamine
CID 7408
Fendiline
CID 3336
(+)-Methamphetamine hydrochloride
CID 66124
N-Benzylphenethylamine
CID 65055
N-Ethylamphetamine
CID 9982
N-ethyl-1-phenylcyclohexanamine
CID 16622
1-Phenethylamine, (-)-
CID 75818
1-Phenethylamine, (+)-
CID 643189

Frequently Asked Questions

What is the IUPAC name of ethane;N-methylcyclohexanamine;N-methyl-1-phenylmethanamine?
The IUPAC name of ethane;N-methylcyclohexanamine;N-methyl-1-phenylmethanamine (CID 162733997) is ethane;N-methylcyclohexanamine;N-methyl-1-phenylmethanamine.
What is the SMILES notation for ethane;N-methylcyclohexanamine;N-methyl-1-phenylmethanamine?
The canonical SMILES for ethane;N-methylcyclohexanamine;N-methyl-1-phenylmethanamine is CC.CC.CNC1CCCCC1.CNCc1ccccc1.
What is the InChIKey of ethane;N-methylcyclohexanamine;N-methyl-1-phenylmethanamine?
The InChIKey is MBDRAYHVDUXSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C7H15N.2C2H6/c1-9-7-8-5-3-2-4-6-8;1-8-7-5-3-2-4-6-7;2*1-2/h2-6,9H,7H2,1H3;7-8H,2-6H2,1H3;2*1-2H3.
What are the key properties of ethane;N-methylcyclohexanamine;N-methyl-1-phenylmethanamine?
ethane;N-methylcyclohexanamine;N-methyl-1-phenylmethanamine has a molecular weight of 294.53 g/mol, XLogP of 5.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methylcyclohexanamine;N-methyl-1-phenylmethanamine is sourced from PubChem (CID 162733997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).