N-(4-ethylcyclohexyl)-N-methyl-4-(propylaminomethyl)aniline

C19H32N2 — CID 63553409

IUPACN-(4-ethylcyclohexyl)-N-methyl-4-(propylaminomethyl)aniline
SMILESCCCNCc1ccc(N(C)C2CCC(CC)CC2)cc1
InChIInChI=1S/C19H32N2/c1-4-14-20-15-17-8-12-19(13-9-17)21(3)18-10-6-16(5-2)7-11-18/h8-9,12-13,16,18,20H,4-7,10-11,14-15H2,1-3H3
InChIKeyOXVDSYPSFAMIMC-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.59
Rot. Bonds7

About N-(4-ethylcyclohexyl)-N-methyl-4-(propylaminomethyl)aniline

N-(4-ethylcyclohexyl)-N-methyl-4-(propylaminomethyl)aniline (PubChem CID 63553409) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-N-methyl-4-(propylaminomethyl)aniline.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-N-methyl-4-(propylaminomethyl)aniline
PubChem CID63553409
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-(4-ethylcyclohexyl)-N-methyl-4-(propylaminomethyl)aniline
SMILESCCCNCc1ccc(N(C)C2CCC(CC)CC2)cc1
InChIInChI=1S/C19H32N2/c1-4-14-20-15-17-8-12-19(13-9-17)21(3)18-10-6-16(5-2)7-11-18/h8-9,12-13,16,18,20H,4-7,10-11,14-15H2,1-3H3
InChIKeyOXVDSYPSFAMIMC-UHFFFAOYSA-N
XLogP4.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylaniline
CID 55222350
N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]cyclopropanamine
CID 55129561
N-(4-ethylcyclohexyl)-N-methyl-4-(propylaminomethyl)pyridin-3-amine
CID 105073619
N,2-dimethyl-N-[4-(propylaminomethyl)phenyl]oxolan-3-amine
CID 82741920
N-methyl-N-(3-methylbutan-2-yl)-4-(propylaminomethyl)aniline
CID 43570390
N-[[3-bromo-4-(4-ethylcyclohexyl)oxyphenyl]methyl]propan-1-amine
CID 64750225
N-[4-[(2-methoxyethylamino)methyl]phenyl]-N-methyloxan-4-amine
CID 63058629
N'-cyclopropyl-N-[(4-ethylphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62977559
1-(4-ethylcyclohexyl)-N-[(4-ethylphenyl)methyl]methanamine
CID 63451562
N-cyclohexyl-2-ethoxy-N-methyl-4-(propylaminomethyl)aniline
CID 84749081
N-cyclopropyl-N-ethyl-4-(propylaminomethyl)benzenesulfonamide
CID 60824957
N-[[4-(2-cyclopropylethoxymethyl)phenyl]methyl]propan-1-amine
CID 106205738

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-N-methyl-4-(propylaminomethyl)aniline?
The IUPAC name of N-(4-ethylcyclohexyl)-N-methyl-4-(propylaminomethyl)aniline (CID 63553409) is N-(4-ethylcyclohexyl)-N-methyl-4-(propylaminomethyl)aniline.
What is the SMILES notation for N-(4-ethylcyclohexyl)-N-methyl-4-(propylaminomethyl)aniline?
The canonical SMILES for N-(4-ethylcyclohexyl)-N-methyl-4-(propylaminomethyl)aniline is CCCNCc1ccc(N(C)C2CCC(CC)CC2)cc1.
What is the InChIKey of N-(4-ethylcyclohexyl)-N-methyl-4-(propylaminomethyl)aniline?
The InChIKey is OXVDSYPSFAMIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-14-20-15-17-8-12-19(13-9-17)21(3)18-10-6-16(5-2)7-11-18/h8-9,12-13,16,18,20H,4-7,10-11,14-15H2,1-3H3.
What are the key properties of N-(4-ethylcyclohexyl)-N-methyl-4-(propylaminomethyl)aniline?
N-(4-ethylcyclohexyl)-N-methyl-4-(propylaminomethyl)aniline has a molecular weight of 288.48 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-N-methyl-4-(propylaminomethyl)aniline is sourced from PubChem (CID 63553409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).