4-(aminomethyl)-N-(2-ethylcyclohexyl)-N-propylaniline

C18H30N2 — CID 63862471

IUPAC4-(aminomethyl)-N-(2-ethylcyclohexyl)-N-propylaniline
SMILESCCCN(c1ccc(CN)cc1)C1CCCCC1CC
InChIInChI=1S/C18H30N2/c1-3-13-20(17-11-9-15(14-19)10-12-17)18-8-6-5-7-16(18)4-2/h9-12,16,18H,3-8,13-14,19H2,1-2H3
InChIKeyYBEDRPXOAZHDDE-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.33
Rot. Bonds6

About 4-(aminomethyl)-N-(2-ethylcyclohexyl)-N-propylaniline

4-(aminomethyl)-N-(2-ethylcyclohexyl)-N-propylaniline (PubChem CID 63862471) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-ethylcyclohexyl)-N-propylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-ethylcyclohexyl)-N-propylaniline
PubChem CID63862471
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name4-(aminomethyl)-N-(2-ethylcyclohexyl)-N-propylaniline
SMILESCCCN(c1ccc(CN)cc1)C1CCCCC1CC
InChIInChI=1S/C18H30N2/c1-3-13-20(17-11-9-15(14-19)10-12-17)18-8-6-5-7-16(18)4-2/h9-12,16,18H,3-8,13-14,19H2,1-2H3
InChIKeyYBEDRPXOAZHDDE-UHFFFAOYSA-N
XLogP4.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(aminomethyl)phenyl]-N-propylcycloheptanamine
CID 82927051
3-(N-(2-ethylcyclohexyl)anilino)propanethioamide
CID 63863592
N-[4-(aminomethyl)phenyl]-N-propylcyclohexanecarboxamide
CID 43275739
2-(N-(2-ethylcyclohexyl)anilino)acetic acid
CID 63861803
N-[4-(aminomethyl)phenyl]-N-propylcyclobutanecarboxamide
CID 43275737
3-N-(2-ethylcyclohexyl)-3-N-methylbenzene-1,3-diamine
CID 55251570
4-(aminomethyl)-N-(oxolan-3-ylmethyl)-N-propylaniline
CID 61311480
4-(aminomethyl)-N-cyclopentyl-N-cyclopropylaniline
CID 43276221
2-N-ethyl-2-N-phenylcyclohexane-1,2-diamine
CID 60725521
2-N-(2-ethylcyclohexyl)-2-N-methylbenzene-1,2-diamine
CID 63861614
4-(aminomethyl)-N-cyclopropyl-N-(2-methylbutyl)aniline
CID 62105481
1-N-butyl-1-N-phenylcyclopentane-1,2-diamine
CID 64586745

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-ethylcyclohexyl)-N-propylaniline?
The IUPAC name of 4-(aminomethyl)-N-(2-ethylcyclohexyl)-N-propylaniline (CID 63862471) is 4-(aminomethyl)-N-(2-ethylcyclohexyl)-N-propylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-(2-ethylcyclohexyl)-N-propylaniline?
The canonical SMILES for 4-(aminomethyl)-N-(2-ethylcyclohexyl)-N-propylaniline is CCCN(c1ccc(CN)cc1)C1CCCCC1CC.
What is the InChIKey of 4-(aminomethyl)-N-(2-ethylcyclohexyl)-N-propylaniline?
The InChIKey is YBEDRPXOAZHDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-13-20(17-11-9-15(14-19)10-12-17)18-8-6-5-7-16(18)4-2/h9-12,16,18H,3-8,13-14,19H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(2-ethylcyclohexyl)-N-propylaniline?
4-(aminomethyl)-N-(2-ethylcyclohexyl)-N-propylaniline has a molecular weight of 274.45 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-ethylcyclohexyl)-N-propylaniline is sourced from PubChem (CID 63862471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).