4-(2-aminobutyl)-N-(3,3-dimethylbutan-2-yl)-N-methylaniline

C17H30N2 — CID 63794551

IUPAC4-(2-aminobutyl)-N-(3,3-dimethylbutan-2-yl)-N-methylaniline
SMILESCCC(N)Cc1ccc(N(C)C(C)C(C)(C)C)cc1
InChIInChI=1S/C17H30N2/c1-7-15(18)12-14-8-10-16(11-9-14)19(6)13(2)17(3,4)5/h8-11,13,15H,7,12,18H2,1-6H3
InChIKeyJJTRRBLYEAOUCZ-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.84
Rot. Bonds5

About 4-(2-aminobutyl)-N-(3,3-dimethylbutan-2-yl)-N-methylaniline

4-(2-aminobutyl)-N-(3,3-dimethylbutan-2-yl)-N-methylaniline (PubChem CID 63794551) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 4-(2-aminobutyl)-N-(3,3-dimethylbutan-2-yl)-N-methylaniline.

Molecular Properties

Compound Name4-(2-aminobutyl)-N-(3,3-dimethylbutan-2-yl)-N-methylaniline
PubChem CID63794551
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name4-(2-aminobutyl)-N-(3,3-dimethylbutan-2-yl)-N-methylaniline
SMILESCCC(N)Cc1ccc(N(C)C(C)C(C)(C)C)cc1
InChIInChI=1S/C17H30N2/c1-7-15(18)12-14-8-10-16(11-9-14)19(6)13(2)17(3,4)5/h8-11,13,15H,7,12,18H2,1-6H3
InChIKeyJJTRRBLYEAOUCZ-UHFFFAOYSA-N
XLogP3.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.84
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)-2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylaniline
CID 81166458
4-(2-aminobutyl)-N-(2,2-dimethylpropyl)-N-methylaniline
CID 55237009
4-(bromomethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylaniline
CID 107082142
4-(2-aminobutyl)-N-methyl-N-(3-methylbutyl)aniline
CID 63817257
N'-[4-(2-aminobutyl)phenyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 63794361
N-(3,3-dimethylbutan-2-yl)-N-methylaniline
CID 134941806
2-[4-(2-aminobutyl)-N-(2-hydroxyethyl)anilino]ethanol
CID 170889215
4-(2-aminobutyl)-N-ethyl-N-propylaniline
CID 55237765
4-(2-aminobutyl)-N-butan-2-yl-N-butylaniline
CID 63816392
4-(2-aminobutyl)-N-methyl-N-(2-methylsulfanylethyl)aniline
CID 112666727
(1S)-1-[4-[3,3-dimethylbutan-2-yl(methyl)amino]phenyl]ethanol
CID 63372612
1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-amine;hydrochloride
CID 170889301

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminobutyl)-N-(3,3-dimethylbutan-2-yl)-N-methylaniline?
The IUPAC name of 4-(2-aminobutyl)-N-(3,3-dimethylbutan-2-yl)-N-methylaniline (CID 63794551) is 4-(2-aminobutyl)-N-(3,3-dimethylbutan-2-yl)-N-methylaniline.
What is the SMILES notation for 4-(2-aminobutyl)-N-(3,3-dimethylbutan-2-yl)-N-methylaniline?
The canonical SMILES for 4-(2-aminobutyl)-N-(3,3-dimethylbutan-2-yl)-N-methylaniline is CCC(N)Cc1ccc(N(C)C(C)C(C)(C)C)cc1.
What is the InChIKey of 4-(2-aminobutyl)-N-(3,3-dimethylbutan-2-yl)-N-methylaniline?
The InChIKey is JJTRRBLYEAOUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-7-15(18)12-14-8-10-16(11-9-14)19(6)13(2)17(3,4)5/h8-11,13,15H,7,12,18H2,1-6H3.
What are the key properties of 4-(2-aminobutyl)-N-(3,3-dimethylbutan-2-yl)-N-methylaniline?
4-(2-aminobutyl)-N-(3,3-dimethylbutan-2-yl)-N-methylaniline has a molecular weight of 262.44 g/mol, XLogP of 3.84, 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-(3,3-dimethylbutan-2-yl)-N-methylaniline is sourced from PubChem (CID 63794551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).