4-(2-aminobutyl)-N-butan-2-yl-N-butylaniline

C18H32N2 — CID 63816392

IUPAC4-(2-aminobutyl)-N-butan-2-yl-N-butylaniline
SMILESCCCCN(c1ccc(CC(N)CC)cc1)C(C)CC
InChIInChI=1S/C18H32N2/c1-5-8-13-20(15(4)6-2)18-11-9-16(10-12-18)14-17(19)7-3/h9-12,15,17H,5-8,13-14,19H2,1-4H3
InChIKeyFNMGQSZJHDPCSC-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.37
Rot. Bonds9

About 4-(2-aminobutyl)-N-butan-2-yl-N-butylaniline

4-(2-aminobutyl)-N-butan-2-yl-N-butylaniline (PubChem CID 63816392) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 4-(2-aminobutyl)-N-butan-2-yl-N-butylaniline.

Molecular Properties

Compound Name4-(2-aminobutyl)-N-butan-2-yl-N-butylaniline
PubChem CID63816392
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name4-(2-aminobutyl)-N-butan-2-yl-N-butylaniline
SMILESCCCCN(c1ccc(CC(N)CC)cc1)C(C)CC
InChIInChI=1S/C18H32N2/c1-5-8-13-20(15(4)6-2)18-11-9-16(10-12-18)14-17(19)7-3/h9-12,15,17H,5-8,13-14,19H2,1-4H3
InChIKeyFNMGQSZJHDPCSC-UHFFFAOYSA-N
XLogP4.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.37
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-aminopropyl)-N-butan-2-yl-N-butylaniline
CID 55235076
4-(1-aminoethyl)-N-butan-2-yl-N-butylaniline
CID 55005473
4-(2-aminobutyl)-N-ethyl-N-propylaniline
CID 55237765
4-(2-aminobutyl)-N-methyl-N-(3-methylbutyl)aniline
CID 63817257
2-[4-(2-aminobutyl)-N-(2-hydroxyethyl)anilino]ethanol
CID 170889215
2-(2-aminobutyl)-N-butan-2-yl-N-butyl-4-fluoroaniline
CID 63816560
4-(2-aminopropyl)-N-butyl-N-ethylaniline
CID 63786093
5-(aminomethyl)-N-butan-2-yl-N-butylpyridin-2-amine
CID 55000369
N'-butan-2-yl-N'-(4-methylphenyl)propane-1,3-diamine
CID 43136067
4-(2-aminopropyl)-N-butan-2-yl-N-butyl-2-chloroaniline
CID 81165870
4-(2-aminobutyl)-N-(3,3-dimethylbutan-2-yl)-N-methylaniline
CID 63794551
N'-[4-(2-aminobutyl)phenyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 63794361

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminobutyl)-N-butan-2-yl-N-butylaniline?
The IUPAC name of 4-(2-aminobutyl)-N-butan-2-yl-N-butylaniline (CID 63816392) is 4-(2-aminobutyl)-N-butan-2-yl-N-butylaniline.
What is the SMILES notation for 4-(2-aminobutyl)-N-butan-2-yl-N-butylaniline?
The canonical SMILES for 4-(2-aminobutyl)-N-butan-2-yl-N-butylaniline is CCCCN(c1ccc(CC(N)CC)cc1)C(C)CC.
What is the InChIKey of 4-(2-aminobutyl)-N-butan-2-yl-N-butylaniline?
The InChIKey is FNMGQSZJHDPCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-5-8-13-20(15(4)6-2)18-11-9-16(10-12-18)14-17(19)7-3/h9-12,15,17H,5-8,13-14,19H2,1-4H3.
What are the key properties of 4-(2-aminobutyl)-N-butan-2-yl-N-butylaniline?
4-(2-aminobutyl)-N-butan-2-yl-N-butylaniline has a molecular weight of 276.47 g/mol, XLogP of 4.37, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminobutyl)-N-butan-2-yl-N-butylaniline is sourced from PubChem (CID 63816392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).