4-(2-aminobutyl)-N,3-dimethyl-N-(3-methylcyclohexyl)aniline

C19H32N2 — CID 63815618

IUPAC4-(2-aminobutyl)-N,3-dimethyl-N-(3-methylcyclohexyl)aniline
SMILESCCC(N)Cc1ccc(N(C)C2CCCC(C)C2)cc1C
InChIInChI=1S/C19H32N2/c1-5-17(20)13-16-9-10-19(12-15(16)3)21(4)18-8-6-7-14(2)11-18/h9-10,12,14,17-18H,5-8,11,13,20H2,1-4H3
InChIKeyUDUQWPZPANSUQP-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.29
Rot. Bonds5

About 4-(2-aminobutyl)-N,3-dimethyl-N-(3-methylcyclohexyl)aniline

4-(2-aminobutyl)-N,3-dimethyl-N-(3-methylcyclohexyl)aniline (PubChem CID 63815618) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 4-(2-aminobutyl)-N,3-dimethyl-N-(3-methylcyclohexyl)aniline.

Molecular Properties

Compound Name4-(2-aminobutyl)-N,3-dimethyl-N-(3-methylcyclohexyl)aniline
PubChem CID63815618
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name4-(2-aminobutyl)-N,3-dimethyl-N-(3-methylcyclohexyl)aniline
SMILESCCC(N)Cc1ccc(N(C)C2CCCC(C)C2)cc1C
InChIInChI=1S/C19H32N2/c1-5-17(20)13-16-9-10-19(12-15(16)3)21(4)18-8-6-7-14(2)11-18/h9-10,12,14,17-18H,5-8,11,13,20H2,1-4H3
InChIKeyUDUQWPZPANSUQP-UHFFFAOYSA-N
XLogP4.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.29
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

4-(2-aminobutyl)-N,3-dimethyl-N-(4-methylcyclohexyl)aniline
CID 63815146
4-(aminomethyl)-N,3-dimethyl-N-(3-methylcyclohexyl)aniline
CID 62136395
5-(2-aminobutyl)-N,3-dimethyl-N-(3-methylcyclohexyl)pyridin-2-amine
CID 80637344
4-(2-aminobutyl)-N,3-dimethyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 115988039
4-(2-aminobutyl)-3-methyl-N,N-dipropylaniline
CID 63786915
4-(2-aminoethyl)-N-cyclohexyl-N,3-dimethylaniline
CID 63783720
4-(2-aminoethyl)-N,3-dimethyl-N-(4-methylcyclohexyl)aniline
CID 63786709
4-(2-aminobutyl)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)aniline
CID 63795900
6-[(1R)-1-aminopropyl]-N-methyl-N-(3-methylcyclohexyl)pyridin-3-amine
CID 103937129
4-(2-aminopropyl)-N-cyclopentyl-N-ethyl-3-methylaniline
CID 63786963
N-[2-(2-aminobutyl)-5-chlorophenyl]-N-methylcycloheptanamine
CID 114860719
4-N-cyclopentyl-4-N,2-dimethylbenzene-1,4-diamine
CID 43436341

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminobutyl)-N,3-dimethyl-N-(3-methylcyclohexyl)aniline?
The IUPAC name of 4-(2-aminobutyl)-N,3-dimethyl-N-(3-methylcyclohexyl)aniline (CID 63815618) is 4-(2-aminobutyl)-N,3-dimethyl-N-(3-methylcyclohexyl)aniline.
What is the SMILES notation for 4-(2-aminobutyl)-N,3-dimethyl-N-(3-methylcyclohexyl)aniline?
The canonical SMILES for 4-(2-aminobutyl)-N,3-dimethyl-N-(3-methylcyclohexyl)aniline is CCC(N)Cc1ccc(N(C)C2CCCC(C)C2)cc1C.
What is the InChIKey of 4-(2-aminobutyl)-N,3-dimethyl-N-(3-methylcyclohexyl)aniline?
The InChIKey is UDUQWPZPANSUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-17(20)13-16-9-10-19(12-15(16)3)21(4)18-8-6-7-14(2)11-18/h9-10,12,14,17-18H,5-8,11,13,20H2,1-4H3.
What are the key properties of 4-(2-aminobutyl)-N,3-dimethyl-N-(3-methylcyclohexyl)aniline?
4-(2-aminobutyl)-N,3-dimethyl-N-(3-methylcyclohexyl)aniline has a molecular weight of 288.48 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminobutyl)-N,3-dimethyl-N-(3-methylcyclohexyl)aniline is sourced from PubChem (CID 63815618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).