2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-pentylpropanamide

C14H29N3O — CID 55140066

IUPAC2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)NCCN(C)C1CC1
InChIInChI=1S/C14H29N3O/c1-4-5-6-9-16-14(18)12(2)15-10-11-17(3)13-7-8-13/h12-13,15H,4-11H2,1-3H3,(H,16,18)
InChIKeySXXUXVGFUMNJMY-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.37
Rot. Bonds10

About 2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-pentylpropanamide

2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-pentylpropanamide (PubChem CID 55140066) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-pentylpropanamide.

Molecular Properties

Compound Name2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-pentylpropanamide
PubChem CID55140066
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)NCCN(C)C1CC1
InChIInChI=1S/C14H29N3O/c1-4-5-6-9-16-14(18)12(2)15-10-11-17(3)13-7-8-13/h12-13,15H,4-11H2,1-3H3,(H,16,18)
InChIKeySXXUXVGFUMNJMY-UHFFFAOYSA-N
XLogP1.37
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-pentylpropanamide 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

2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-propylpropanamide
CID 62976116
2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-methylpropanamide
CID 62976125
2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-pentan-2-ylpropanamide
CID 62976128
2-[2-[cyclopropyl(methyl)amino]ethylamino]-N,N-dimethylpropanamide
CID 62977771
N-butyl-2-[2-[ethyl(methyl)amino]ethylamino]propanamide
CID 62641738
ethyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]propanoate
CID 63318117
2-(2-cyclopropylpropylamino)-N-pentylpropanamide
CID 115591539
2-[2-[cyclopentyl(methyl)amino]ethylamino]-N,N-dimethylpropanamide
CID 63318305
N-butyl-2-(3-cyclopropylpropylamino)propanamide
CID 115638941
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-pentylpropanamide
CID 43420338
2-[(3-amino-3-oxopropyl)amino]-N-pentylpropanamide
CID 43553504
3-[[4-[bis[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]cyclohexyl]-[3-(dodecylamino)-2-hydroxy-3-oxopropyl]amino]-N-dodecyl-2-hydroxypropanamide
CID 176741173

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-pentylpropanamide?
The IUPAC name of 2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-pentylpropanamide (CID 55140066) is 2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-pentylpropanamide.
What is the SMILES notation for 2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-pentylpropanamide?
The canonical SMILES for 2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-pentylpropanamide is CCCCCNC(=O)C(C)NCCN(C)C1CC1.
What is the InChIKey of 2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-pentylpropanamide?
The InChIKey is SXXUXVGFUMNJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-4-5-6-9-16-14(18)12(2)15-10-11-17(3)13-7-8-13/h12-13,15H,4-11H2,1-3H3,(H,16,18).
What are the key properties of 2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-pentylpropanamide?
2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-pentylpropanamide has a molecular weight of 255.41 g/mol, XLogP of 1.37, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-pentylpropanamide is sourced from PubChem (CID 55140066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).