2-(1-aminoethyl)-N-cyclopropyl-N-(3-methylbutyl)aniline

C16H26N2 — CID 78974160

IUPAC2-(1-aminoethyl)-N-cyclopropyl-N-(3-methylbutyl)aniline
SMILESCC(C)CCN(c1ccccc1C(C)N)C1CC1
InChIInChI=1S/C16H26N2/c1-12(2)10-11-18(14-8-9-14)16-7-5-4-6-15(16)13(3)17/h4-7,12-14H,8-11,17H2,1-3H3
InChIKeyGZOUOPFYMZGQSJ-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.72
Rot. Bonds6

About 2-(1-aminoethyl)-N-cyclopropyl-N-(3-methylbutyl)aniline

2-(1-aminoethyl)-N-cyclopropyl-N-(3-methylbutyl)aniline (PubChem CID 78974160) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-cyclopropyl-N-(3-methylbutyl)aniline.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-cyclopropyl-N-(3-methylbutyl)aniline
PubChem CID78974160
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-(1-aminoethyl)-N-cyclopropyl-N-(3-methylbutyl)aniline
SMILESCC(C)CCN(c1ccccc1C(C)N)C1CC1
InChIInChI=1S/C16H26N2/c1-12(2)10-11-18(14-8-9-14)16-7-5-4-6-15(16)13(3)17/h4-7,12-14H,8-11,17H2,1-3H3
InChIKeyGZOUOPFYMZGQSJ-UHFFFAOYSA-N
XLogP3.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R)-1-aminoethyl]-N-cyclopropyl-N-(2-methylpropyl)aniline
CID 78935268
2-(1-aminopropyl)-N-cyclopropyl-N-(3-methylbutyl)aniline
CID 112678059
2-[2-[(1R)-1-aminoethyl]-N-cyclopropylanilino]ethanol
CID 78935565
2-[2-[(1S)-1-aminoethyl]-N-cyclopropylanilino]ethanol
CID 63368640
2-[2-[(1R)-1-aminoethyl]-N-cyclobutylanilino]ethanol
CID 102863448
4-[(1R)-1-aminoethyl]-N-cyclopropyl-N-(3-methylbutyl)aniline
CID 78935157
1-N-cyclopropyl-3-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine
CID 78973859
2-(2-aminobutyl)-3-chloro-N-cyclopropyl-N-(3-methylbutyl)aniline
CID 78951235
2-[2-(1-aminopropyl)-N-cyclohexylanilino]ethanol
CID 115995044
2-[(1S)-1-aminoethyl]-N-methyl-N-(4-methylcyclohexyl)aniline
CID 78934792
N-[2-[(1S)-1-aminoethyl]phenyl]-N-methylcycloheptanamine
CID 55190297
2-[2-[(1R)-1-aminopropyl]-N-cyclopentylanilino]ethanol
CID 103958723

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-cyclopropyl-N-(3-methylbutyl)aniline?
The IUPAC name of 2-(1-aminoethyl)-N-cyclopropyl-N-(3-methylbutyl)aniline (CID 78974160) is 2-(1-aminoethyl)-N-cyclopropyl-N-(3-methylbutyl)aniline.
What is the SMILES notation for 2-(1-aminoethyl)-N-cyclopropyl-N-(3-methylbutyl)aniline?
The canonical SMILES for 2-(1-aminoethyl)-N-cyclopropyl-N-(3-methylbutyl)aniline is CC(C)CCN(c1ccccc1C(C)N)C1CC1.
What is the InChIKey of 2-(1-aminoethyl)-N-cyclopropyl-N-(3-methylbutyl)aniline?
The InChIKey is GZOUOPFYMZGQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12(2)10-11-18(14-8-9-14)16-7-5-4-6-15(16)13(3)17/h4-7,12-14H,8-11,17H2,1-3H3.
What are the key properties of 2-(1-aminoethyl)-N-cyclopropyl-N-(3-methylbutyl)aniline?
2-(1-aminoethyl)-N-cyclopropyl-N-(3-methylbutyl)aniline has a molecular weight of 246.40 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-cyclopropyl-N-(3-methylbutyl)aniline is sourced from PubChem (CID 78974160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).