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

C17H28N2 — CID 112678059

IUPAC2-(1-aminopropyl)-N-cyclopropyl-N-(3-methylbutyl)aniline
SMILESCCC(N)c1ccccc1N(CCC(C)C)C1CC1
InChIInChI=1S/C17H28N2/c1-4-16(18)15-7-5-6-8-17(15)19(14-9-10-14)12-11-13(2)3/h5-8,13-14,16H,4,9-12,18H2,1-3H3
InChIKeyHOHQFTRRYWFQLG-UHFFFAOYSA-N
MW260.43 g/mol
LogP4.11
Rot. Bonds7

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

2-(1-aminopropyl)-N-cyclopropyl-N-(3-methylbutyl)aniline (PubChem CID 112678059) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-(1-aminopropyl)-N-cyclopropyl-N-(3-methylbutyl)aniline.

Molecular Properties

Compound Name2-(1-aminopropyl)-N-cyclopropyl-N-(3-methylbutyl)aniline
PubChem CID112678059
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-(1-aminopropyl)-N-cyclopropyl-N-(3-methylbutyl)aniline
SMILESCCC(N)c1ccccc1N(CCC(C)C)C1CC1
InChIInChI=1S/C17H28N2/c1-4-16(18)15-7-5-6-8-17(15)19(14-9-10-14)12-11-13(2)3/h5-8,13-14,16H,4,9-12,18H2,1-3H3
InChIKeyHOHQFTRRYWFQLG-UHFFFAOYSA-N
XLogP4.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminoethyl)-N-cyclopropyl-N-(3-methylbutyl)aniline
CID 78974160
2-[2-[(1R)-1-aminopropyl]-N-cyclopentylanilino]ethanol
CID 103958723
2-[2-(1-aminopropyl)-N-cyclohexylanilino]ethanol
CID 115995044
2-[(1R)-1-aminopropyl]-N-cyclopentyl-N-ethylaniline
CID 103958535
2-(2-aminobutyl)-3-chloro-N-cyclopropyl-N-(3-methylbutyl)aniline
CID 78951235
2-[(1R)-1-aminoethyl]-N-cyclopropyl-N-(2-methylpropyl)aniline
CID 78935268
2-[2-[(1S)-1-aminoethyl]-N-cyclopropylanilino]ethanol
CID 63368640
2-[2-[(1R)-1-aminoethyl]-N-cyclopropylanilino]ethanol
CID 78935565
1-N-cyclopropyl-3-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine
CID 78973859
2-[2-[(1R)-1-aminoethyl]-N-cyclobutylanilino]ethanol
CID 102863448
4-[(1R)-1-aminoethyl]-N-cyclopropyl-N-(3-methylbutyl)aniline
CID 78935157
2-(1-aminopropyl)-N-ethyl-N-methylaniline
CID 23460228

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropyl)-N-cyclopropyl-N-(3-methylbutyl)aniline?
The IUPAC name of 2-(1-aminopropyl)-N-cyclopropyl-N-(3-methylbutyl)aniline (CID 112678059) is 2-(1-aminopropyl)-N-cyclopropyl-N-(3-methylbutyl)aniline.
What is the SMILES notation for 2-(1-aminopropyl)-N-cyclopropyl-N-(3-methylbutyl)aniline?
The canonical SMILES for 2-(1-aminopropyl)-N-cyclopropyl-N-(3-methylbutyl)aniline is CCC(N)c1ccccc1N(CCC(C)C)C1CC1.
What is the InChIKey of 2-(1-aminopropyl)-N-cyclopropyl-N-(3-methylbutyl)aniline?
The InChIKey is HOHQFTRRYWFQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-16(18)15-7-5-6-8-17(15)19(14-9-10-14)12-11-13(2)3/h5-8,13-14,16H,4,9-12,18H2,1-3H3.
What are the key properties of 2-(1-aminopropyl)-N-cyclopropyl-N-(3-methylbutyl)aniline?
2-(1-aminopropyl)-N-cyclopropyl-N-(3-methylbutyl)aniline has a molecular weight of 260.43 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropyl)-N-cyclopropyl-N-(3-methylbutyl)aniline is sourced from PubChem (CID 112678059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).