2-[(1S)-1-aminopropyl]-N-pentyl-N-propan-2-ylaniline

C17H30N2 — CID 103958727

IUPAC2-[(1S)-1-aminopropyl]-N-pentyl-N-propan-2-ylaniline
SMILESCCCCCN(c1ccccc1[C@@H](N)CC)C(C)C
InChIInChI=1S/C17H30N2/c1-5-7-10-13-19(14(3)4)17-12-9-8-11-15(17)16(18)6-2/h8-9,11-12,14,16H,5-7,10,13,18H2,1-4H3/t16-/m0/s1
InChIKeyBWFNPFKZHQTRPZ-INIZCTEOSA-N
MW262.44 g/mol
LogP4.50
Rot. Bonds8

About 2-[(1S)-1-aminopropyl]-N-pentyl-N-propan-2-ylaniline

2-[(1S)-1-aminopropyl]-N-pentyl-N-propan-2-ylaniline (PubChem CID 103958727) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 2-[(1S)-1-aminopropyl]-N-pentyl-N-propan-2-ylaniline.

Molecular Properties

Compound Name2-[(1S)-1-aminopropyl]-N-pentyl-N-propan-2-ylaniline
PubChem CID103958727
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name2-[(1S)-1-aminopropyl]-N-pentyl-N-propan-2-ylaniline
SMILESCCCCCN(c1ccccc1[C@@H](N)CC)C(C)C
InChIInChI=1S/C17H30N2/c1-5-7-10-13-19(14(3)4)17-12-9-8-11-15(17)16(18)6-2/h8-9,11-12,14,16H,5-7,10,13,18H2,1-4H3/t16-/m0/s1
InChIKeyBWFNPFKZHQTRPZ-INIZCTEOSA-N
XLogP4.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(1R)-1-aminopropyl]-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 103959097
2-[1-(ethylamino)propyl]-N-pentyl-N-propan-2-ylaniline
CID 115995052
2-[1-(ethylamino)ethyl]-N-pentyl-N-propan-2-ylaniline
CID 63533282
2-(1-aminoethyl)-N-propan-2-yl-N-propylaniline
CID 43269689
3-[2-[(1S)-1-aminoethyl]-N-propan-2-ylanilino]propan-1-ol
CID 78935229
(1S)-1-[2-[propan-2-yl(propyl)amino]phenyl]propan-1-ol
CID 103959740
2-(1-aminopropyl)-N-butan-2-yl-N-(2-methoxyethyl)aniline
CID 112678052
2-(1-aminopropyl)-N,N-dimethylaniline
CID 112704132
(1R)-1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-ol
CID 113358988
2-(1-aminopropyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
CID 115995066
2-[2-[(1R)-1-aminoethyl]-N-propan-2-ylanilino]ethanol
CID 78935304
2-(1-aminopropyl)-N-ethyl-N-methylaniline
CID 23460228

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-aminopropyl]-N-pentyl-N-propan-2-ylaniline?
The IUPAC name of 2-[(1S)-1-aminopropyl]-N-pentyl-N-propan-2-ylaniline (CID 103958727) is 2-[(1S)-1-aminopropyl]-N-pentyl-N-propan-2-ylaniline.
What is the SMILES notation for 2-[(1S)-1-aminopropyl]-N-pentyl-N-propan-2-ylaniline?
The canonical SMILES for 2-[(1S)-1-aminopropyl]-N-pentyl-N-propan-2-ylaniline is CCCCCN(c1ccccc1[C@@H](N)CC)C(C)C.
What is the InChIKey of 2-[(1S)-1-aminopropyl]-N-pentyl-N-propan-2-ylaniline?
The InChIKey is BWFNPFKZHQTRPZ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H30N2/c1-5-7-10-13-19(14(3)4)17-12-9-8-11-15(17)16(18)6-2/h8-9,11-12,14,16H,5-7,10,13,18H2,1-4H3/t16-/m0/s1.
What are the key properties of 2-[(1S)-1-aminopropyl]-N-pentyl-N-propan-2-ylaniline?
2-[(1S)-1-aminopropyl]-N-pentyl-N-propan-2-ylaniline has a molecular weight of 262.44 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-aminopropyl]-N-pentyl-N-propan-2-ylaniline is sourced from PubChem (CID 103958727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).