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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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).