4-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-N-propan-2-ylaniline

C18H30N2 — CID 64740354

IUPAC4-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-N-propan-2-ylaniline
SMILESCC1CCC(N(c2ccc(CN)cc2)C(C)C)CC1C
InChIInChI=1S/C18H30N2/c1-13(2)20(17-9-6-16(12-19)7-10-17)18-8-5-14(3)15(4)11-18/h6-7,9-10,13-15,18H,5,8,11-12,19H2,1-4H3
InChIKeyRVGYWINJNDDNDA-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.18
Rot. Bonds4

About 4-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-N-propan-2-ylaniline

4-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-N-propan-2-ylaniline (PubChem CID 64740354) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-N-propan-2-ylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-N-propan-2-ylaniline
PubChem CID64740354
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name4-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-N-propan-2-ylaniline
SMILESCC1CCC(N(c2ccc(CN)cc2)C(C)C)CC1C
InChIInChI=1S/C18H30N2/c1-13(2)20(17-9-6-16(12-19)7-10-17)18-8-5-14(3)15(4)11-18/h6-7,9-10,13-15,18H,5,8,11-12,19H2,1-4H3
InChIKeyRVGYWINJNDDNDA-UHFFFAOYSA-N
XLogP4.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-N-methylaniline
CID 64737952
4-(aminomethyl)-N-cyclopropyl-N-(2-methylbutyl)aniline
CID 62105481
1-[4-(aminomethyl)-N-cyclopropylanilino]-3-methylbutan-2-ol
CID 114249457
3-[[(3,4-dimethylcyclohexyl)-propan-2-ylamino]methyl]aniline
CID 64738779
4-[[cyclopropyl-(3,4-dimethylcyclohexyl)amino]methyl]aniline
CID 64738781
N-[4-(aminomethyl)phenyl]-N-cyclopropylmethanesulfonamide
CID 43276085
4-N-(3,4-dimethylcyclohexyl)-4-N-methylbenzene-1,4-diamine
CID 64737972
4-(aminomethyl)-N-cyclopentyl-N-cyclopropylaniline
CID 43276221
4-(aminomethyl)-N-(1-cyclopropylethyl)-N-methylaniline
CID 43568641
4-N-(3,4-dimethylcyclohexyl)-4-N-ethylbenzene-1,4-diamine
CID 64740574
2-[4-(aminomethyl)-N-cyclopropylanilino]-N-(2-methylpropyl)acetamide
CID 43276217
N-[4-(aminomethyl)phenyl]-N-propan-2-ylcyclohexanesulfonamide
CID 61065296

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-N-propan-2-ylaniline?
The IUPAC name of 4-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-N-propan-2-ylaniline (CID 64740354) is 4-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-N-propan-2-ylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-N-propan-2-ylaniline?
The canonical SMILES for 4-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-N-propan-2-ylaniline is CC1CCC(N(c2ccc(CN)cc2)C(C)C)CC1C.
What is the InChIKey of 4-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-N-propan-2-ylaniline?
The InChIKey is RVGYWINJNDDNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-13(2)20(17-9-6-16(12-19)7-10-17)18-8-5-14(3)15(4)11-18/h6-7,9-10,13-15,18H,5,8,11-12,19H2,1-4H3.
What are the key properties of 4-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-N-propan-2-ylaniline?
4-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-N-propan-2-ylaniline has a molecular weight of 274.45 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3,4-dimethylcyclohexyl)-N-propan-2-ylaniline is sourced from PubChem (CID 64740354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).