2-[1-(ethylamino)propyl]-N-pentyl-N-propan-2-ylaniline

C19H34N2 — CID 115995052

IUPAC2-[1-(ethylamino)propyl]-N-pentyl-N-propan-2-ylaniline
SMILESCCCCCN(c1ccccc1C(CC)NCC)C(C)C
InChIInChI=1S/C19H34N2/c1-6-9-12-15-21(16(4)5)19-14-11-10-13-17(19)18(7-2)20-8-3/h10-11,13-14,16,18,20H,6-9,12,15H2,1-5H3
InChIKeyKVYMEAJUJBARTL-UHFFFAOYSA-N
MW290.50 g/mol
LogP5.15
Rot. Bonds10

About 2-[1-(ethylamino)propyl]-N-pentyl-N-propan-2-ylaniline

2-[1-(ethylamino)propyl]-N-pentyl-N-propan-2-ylaniline (PubChem CID 115995052) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 2-[1-(ethylamino)propyl]-N-pentyl-N-propan-2-ylaniline.

Molecular Properties

Compound Name2-[1-(ethylamino)propyl]-N-pentyl-N-propan-2-ylaniline
PubChem CID115995052
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name2-[1-(ethylamino)propyl]-N-pentyl-N-propan-2-ylaniline
SMILESCCCCCN(c1ccccc1C(CC)NCC)C(C)C
InChIInChI=1S/C19H34N2/c1-6-9-12-15-21(16(4)5)19-14-11-10-13-17(19)18(7-2)20-8-3/h10-11,13-14,16,18,20H,6-9,12,15H2,1-5H3
InChIKeyKVYMEAJUJBARTL-UHFFFAOYSA-N
XLogP5.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.50
LogP ≤ 55.15
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-[1-(ethylamino)ethyl]-N-pentyl-N-propan-2-ylaniline
CID 63533282
2-[(1S)-1-aminopropyl]-N-pentyl-N-propan-2-ylaniline
CID 103958727
(1S)-1-[2-[propan-2-yl(propyl)amino]phenyl]propan-1-ol
CID 103959740
2-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82951873
(1R)-1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-ol
CID 113358988
2-(1-aminoethyl)-N-propan-2-yl-N-propylaniline
CID 43269689
2-[1-(ethylamino)propyl]-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline
CID 115995016
N-ethyl-1-[2-[1-(ethylamino)tridecyl]phenyl]tridecan-1-amine
CID 57251881
N-butan-2-yl-N-methyl-2-[1-(propylamino)propyl]aniline
CID 112677858
4-[1-(ethylamino)ethyl]-2-fluoro-N-pentyl-N-propan-2-ylaniline
CID 63532999
2-[1-(ethylamino)propyl]-N-(furan-2-ylmethyl)-N-methylaniline
CID 115994861
3-[N-ethyl-2-[1-(ethylamino)propyl]anilino]-2-methylpropanenitrile
CID 115995032

Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethylamino)propyl]-N-pentyl-N-propan-2-ylaniline?
The IUPAC name of 2-[1-(ethylamino)propyl]-N-pentyl-N-propan-2-ylaniline (CID 115995052) is 2-[1-(ethylamino)propyl]-N-pentyl-N-propan-2-ylaniline.
What is the SMILES notation for 2-[1-(ethylamino)propyl]-N-pentyl-N-propan-2-ylaniline?
The canonical SMILES for 2-[1-(ethylamino)propyl]-N-pentyl-N-propan-2-ylaniline is CCCCCN(c1ccccc1C(CC)NCC)C(C)C.
What is the InChIKey of 2-[1-(ethylamino)propyl]-N-pentyl-N-propan-2-ylaniline?
The InChIKey is KVYMEAJUJBARTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-6-9-12-15-21(16(4)5)19-14-11-10-13-17(19)18(7-2)20-8-3/h10-11,13-14,16,18,20H,6-9,12,15H2,1-5H3.
What are the key properties of 2-[1-(ethylamino)propyl]-N-pentyl-N-propan-2-ylaniline?
2-[1-(ethylamino)propyl]-N-pentyl-N-propan-2-ylaniline has a molecular weight of 290.50 g/mol, XLogP of 5.15, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethylamino)propyl]-N-pentyl-N-propan-2-ylaniline is sourced from PubChem (CID 115995052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).