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

C12H25N3O — CID 62976116

IUPAC2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCCN(C)C1CC1
InChIInChI=1S/C12H25N3O/c1-4-7-14-12(16)10(2)13-8-9-15(3)11-5-6-11/h10-11,13H,4-9H2,1-3H3,(H,14,16)
InChIKeyYPPLHHJAEPTYQT-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.58
Rot. Bonds8

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

2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-propylpropanamide (PubChem CID 62976116) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-propylpropanamide
PubChem CID62976116
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCCN(C)C1CC1
InChIInChI=1S/C12H25N3O/c1-4-7-14-12(16)10(2)13-8-9-15(3)11-5-6-11/h10-11,13H,4-9H2,1-3H3,(H,14,16)
InChIKeyYPPLHHJAEPTYQT-UHFFFAOYSA-N
XLogP0.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-pentylpropanamide
CID 55140066
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
ethyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]propanoate
CID 63318117
2-[2-[cyclopentyl(methyl)amino]ethylamino]-N,N-dimethylpropanamide
CID 63318305
(2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]pentanamide
CID 107569640
propan-2-yl N-[2-[cyclopropyl(methyl)amino]ethyl]carbamate
CID 116655780
(2S,3S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpentanamide
CID 62975934
2-(butan-2-ylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide
CID 62979214
N'-cyclopropyl-N-heptan-4-yl-N'-methylethane-1,2-diamine
CID 62974974
N-[2-[cycloheptyl(methyl)amino]ethyl]-2-methylpropanamide
CID 59205256

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-propylpropanamide?
The IUPAC name of 2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-propylpropanamide (CID 62976116) is 2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-propylpropanamide?
The canonical SMILES for 2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-propylpropanamide is CCCNC(=O)C(C)NCCN(C)C1CC1.
What is the InChIKey of 2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-propylpropanamide?
The InChIKey is YPPLHHJAEPTYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-7-14-12(16)10(2)13-8-9-15(3)11-5-6-11/h10-11,13H,4-9H2,1-3H3,(H,14,16).
What are the key properties of 2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-propylpropanamide?
2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-propylpropanamide has a molecular weight of 227.35 g/mol, XLogP of 0.58, 8 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-propylpropanamide is sourced from PubChem (CID 62976116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).