N-ethyl-N-propylicosan-2-amine

C25H53N — CID 172693354

IUPACN-ethyl-N-propylicosan-2-amine
SMILESCCCCCCCCCCCCCCCCCCC(C)N(CC)CCC
InChIInChI=1S/C25H53N/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(4)26(7-3)24-6-2/h25H,5-24H2,1-4H3
InChIKeyBZEMKIKYODVWNJ-UHFFFAOYSA-N
MW367.71 g/mol
LogP8.76
Rot. Bonds21

About N-ethyl-N-propylicosan-2-amine

N-ethyl-N-propylicosan-2-amine (PubChem CID 172693354) has the molecular formula C25H53N and a molecular weight of 367.71 g/mol. Its IUPAC name is N-ethyl-N-propylicosan-2-amine.

Molecular Properties

Compound NameN-ethyl-N-propylicosan-2-amine
PubChem CID172693354
Molecular FormulaC25H53N
Molecular Weight367.71 g/mol
Exact Mass367.42
IUPAC NameN-ethyl-N-propylicosan-2-amine
SMILESCCCCCCCCCCCCCCCCCCC(C)N(CC)CCC
InChIInChI=1S/C25H53N/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(4)26(7-3)24-6-2/h25H,5-24H2,1-4H3
InChIKeyBZEMKIKYODVWNJ-UHFFFAOYSA-N
XLogP8.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.71
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-ethyl-N-propylicosan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;N-ethyl-N-propylpentan-2-amine
CID 165399602
N-nonan-2-yl-N-propylnonan-2-amine
CID 134607063
ethane;3-N-ethyl-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 142088421
N,N-di(nonadecan-2-yl)nonadecan-2-amine
CID 19594136
N,N-di(tridecan-2-yl)tridecan-2-amine
CID 87098451
1-[dodecan-2-yl(2-hydroxypropyl)amino]propan-2-ol
CID 89315148
N-(piperidin-4-ylmethyl)-N-propylnonan-2-amine
CID 79715186
N,N-di(decan-2-yl)decan-2-amine;hydrobromide
CID 173437126
(2S)-N,N-dibutylhexan-2-amine
CID 124633708
N,N-diethyltridecan-4-amine
CID 159822270
N-dodecyl-N-methyltridecan-2-amine
CID 87784054
2-[ethyl(propyl)amino]octadecan-3-one
CID 175572404

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-propylicosan-2-amine?
The IUPAC name of N-ethyl-N-propylicosan-2-amine (CID 172693354) is N-ethyl-N-propylicosan-2-amine.
What is the SMILES notation for N-ethyl-N-propylicosan-2-amine?
The canonical SMILES for N-ethyl-N-propylicosan-2-amine is CCCCCCCCCCCCCCCCCCC(C)N(CC)CCC.
What is the InChIKey of N-ethyl-N-propylicosan-2-amine?
The InChIKey is BZEMKIKYODVWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H53N/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(4)26(7-3)24-6-2/h25H,5-24H2,1-4H3.
What are the key properties of N-ethyl-N-propylicosan-2-amine?
N-ethyl-N-propylicosan-2-amine has a molecular weight of 367.71 g/mol, XLogP of 8.76, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propylicosan-2-amine is sourced from PubChem (CID 172693354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).