1-(aminomethyl)-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]cycloheptan-1-amine

C19H32N2 — CID 63481511

IUPAC1-(aminomethyl)-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]cycloheptan-1-amine
SMILESCc1cc(C)c(CN(C)C2(CN)CCCCCC2)c(C)c1
InChIInChI=1S/C19H32N2/c1-15-11-16(2)18(17(3)12-15)13-21(4)19(14-20)9-7-5-6-8-10-19/h11-12H,5-10,13-14,20H2,1-4H3
InChIKeyWIQAMQLTVODXHX-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.10
Rot. Bonds4

About 1-(aminomethyl)-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]cycloheptan-1-amine

1-(aminomethyl)-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]cycloheptan-1-amine (PubChem CID 63481511) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]cycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]cycloheptan-1-amine
PubChem CID63481511
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-(aminomethyl)-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]cycloheptan-1-amine
SMILESCc1cc(C)c(CN(C)C2(CN)CCCCCC2)c(C)c1
InChIInChI=1S/C19H32N2/c1-15-11-16(2)18(17(3)12-15)13-21(4)19(14-20)9-7-5-6-8-10-19/h11-12H,5-10,13-14,20H2,1-4H3
InChIKeyWIQAMQLTVODXHX-UHFFFAOYSA-N
XLogP4.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.10
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-[(2,4,6-trimethylphenyl)methyl]cycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]cycloheptan-1-amine (CID 63481511) is 1-(aminomethyl)-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]cycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]cycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]cycloheptan-1-amine is Cc1cc(C)c(CN(C)C2(CN)CCCCCC2)c(C)c1.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]cycloheptan-1-amine?
The InChIKey is WIQAMQLTVODXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-15-11-16(2)18(17(3)12-15)13-21(4)19(14-20)9-7-5-6-8-10-19/h11-12H,5-10,13-14,20H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]cycloheptan-1-amine?
1-(aminomethyl)-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]cycloheptan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.10, 4 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-[(2,4,6-trimethylphenyl)methyl]cycloheptan-1-amine is sourced from PubChem (CID 63481511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).