2-(butan-2-ylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide

C12H25N3O — CID 62979214

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

About 2-(butan-2-ylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide

2-(butan-2-ylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide (PubChem CID 62979214) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide
PubChem CID62979214
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-(butan-2-ylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide
SMILESCCC(C)NCC(=O)NCCN(C)C1CC1
InChIInChI=1S/C12H25N3O/c1-4-10(2)14-9-12(16)13-7-8-15(3)11-5-6-11/h10-11,14H,4-9H2,1-3H3,(H,13,16)
InChIKeyIAFWZLACKSHEEN-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-[[(2S)-butan-2-yl]amino]-N-[2-[[2-[[(2R)-butan-2-yl]amino]acetyl]amino]ethyl]acetamide
CID 26058062
2-(cyclopropylmethylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide;dihydrochloride
CID 119863864
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide
CID 62059016
N-[2-[2-[cyclohexyl(methyl)amino]ethylamino]-2-oxoethyl]propanamide
CID 86849216
(2S,3S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpentanamide
CID 62975934
N-butan-2-yl-N'-cycloheptyl-N'-methylethane-1,2-diamine
CID 60853944
2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-propylpropanamide
CID 62976116
propan-2-yl N-[2-[cyclopropyl(methyl)amino]ethyl]carbamate
CID 116655780
2-(butan-2-ylamino)-N-(cyclohexylmethyl)acetamide
CID 60648633
2-[2-[cyclopropyl(methyl)amino]ethylamino]-N,N-dimethylpropanamide
CID 62977771
N-[2-[cycloheptyl(methyl)amino]ethyl]-2-methylpropanamide
CID 59205256
(2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]pentanamide
CID 107569640

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide (CID 62979214) is 2-(butan-2-ylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide is CCC(C)NCC(=O)NCCN(C)C1CC1.
What is the InChIKey of 2-(butan-2-ylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide?
The InChIKey is IAFWZLACKSHEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-10(2)14-9-12(16)13-7-8-15(3)11-5-6-11/h10-11,14H,4-9H2,1-3H3,(H,13,16).
What are the key properties of 2-(butan-2-ylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide?
2-(butan-2-ylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide 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-(butan-2-ylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide is sourced from PubChem (CID 62979214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).