N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-2-methylaniline

C18H30N2 — CID 107429092

IUPACN-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-2-methylaniline
SMILESCc1ccccc1NC1(CN)CCCC(CC(C)C)C1
InChIInChI=1S/C18H30N2/c1-14(2)11-16-8-6-10-18(12-16,13-19)20-17-9-5-4-7-15(17)3/h4-5,7,9,14,16,20H,6,8,10-13,19H2,1-3H3
InChIKeyHPDVSHJSPJTDDK-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.34
Rot. Bonds5

About N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-2-methylaniline

N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-2-methylaniline (PubChem CID 107429092) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-2-methylaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-2-methylaniline
PubChem CID107429092
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-2-methylaniline
SMILESCc1ccccc1NC1(CN)CCCC(CC(C)C)C1
InChIInChI=1S/C18H30N2/c1-14(2)11-16-8-6-10-18(12-16,13-19)20-17-9-5-4-7-15(17)3/h4-5,7,9,14,16,20H,6,8,10-13,19H2,1-3H3
InChIKeyHPDVSHJSPJTDDK-UHFFFAOYSA-N
XLogP4.34
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-2-methylaniline?
The IUPAC name of N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-2-methylaniline (CID 107429092) is N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-2-methylaniline.
What is the SMILES notation for N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-2-methylaniline?
The canonical SMILES for N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-2-methylaniline is Cc1ccccc1NC1(CN)CCCC(CC(C)C)C1.
What is the InChIKey of N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-2-methylaniline?
The InChIKey is HPDVSHJSPJTDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-14(2)11-16-8-6-10-18(12-16,13-19)20-17-9-5-4-7-15(17)3/h4-5,7,9,14,16,20H,6,8,10-13,19H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-2-methylaniline?
N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-2-methylaniline has a molecular weight of 274.45 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-2-methylaniline is sourced from PubChem (CID 107429092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).