1-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine

C19H32N2 — CID 107448937

IUPAC1-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine
SMILESCc1ccc(CN(C)C2(CN)CCCC(C(C)C)C2)cc1
InChIInChI=1S/C19H32N2/c1-15(2)18-6-5-11-19(12-18,14-20)21(4)13-17-9-7-16(3)8-10-17/h7-10,15,18H,5-6,11-14,20H2,1-4H3
InChIKeyWAAGRKSATXBTFS-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.97
Rot. Bonds5

About 1-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine

1-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine (PubChem CID 107448937) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine
PubChem CID107448937
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine
SMILESCc1ccc(CN(C)C2(CN)CCCC(C(C)C)C2)cc1
InChIInChI=1S/C19H32N2/c1-15(2)18-6-5-11-19(12-18,14-20)21(4)13-17-9-7-16(3)8-10-17/h7-10,15,18H,5-6,11-14,20H2,1-4H3
InChIKeyWAAGRKSATXBTFS-UHFFFAOYSA-N
XLogP3.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine (CID 107448937) is 1-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine is Cc1ccc(CN(C)C2(CN)CCCC(C(C)C)C2)cc1.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine?
The InChIKey is WAAGRKSATXBTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-15(2)18-6-5-11-19(12-18,14-20)21(4)13-17-9-7-16(3)8-10-17/h7-10,15,18H,5-6,11-14,20H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine?
1-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 107448937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).