3-(1-cyclopropylpropan-2-ylamino)-N,N-diethylpropanamide

C13H26N2O — CID 115710436

IUPAC3-(1-cyclopropylpropan-2-ylamino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNC(C)CC1CC1
InChIInChI=1S/C13H26N2O/c1-4-15(5-2)13(16)8-9-14-11(3)10-12-6-7-12/h11-12,14H,4-10H2,1-3H3
InChIKeyZJUJALRMOJHISX-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.02
Rot. Bonds8

About 3-(1-cyclopropylpropan-2-ylamino)-N,N-diethylpropanamide

3-(1-cyclopropylpropan-2-ylamino)-N,N-diethylpropanamide (PubChem CID 115710436) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-(1-cyclopropylpropan-2-ylamino)-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-(1-cyclopropylpropan-2-ylamino)-N,N-diethylpropanamide
PubChem CID115710436
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-(1-cyclopropylpropan-2-ylamino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNC(C)CC1CC1
InChIInChI=1S/C13H26N2O/c1-4-15(5-2)13(16)8-9-14-11(3)10-12-6-7-12/h11-12,14H,4-10H2,1-3H3
InChIKeyZJUJALRMOJHISX-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-3-(1-methoxypropan-2-ylamino)propanamide
CID 62537003
N,N-diethyl-3-(hexan-2-ylamino)propanamide
CID 60926870
ethyl N-[2-(1-cyclopropylpropan-2-ylamino)ethyl]carbamate
CID 115889548
N-butan-2-yl-3-(1-cyclobutylpropan-2-ylamino)propanamide
CID 115713176
3-(cyclopentylmethylamino)-N,N-diethylpropanamide
CID 62069829
2-[[3-(diethylamino)-3-oxopropyl]amino]-N-prop-2-enylpropanamide
CID 113225823
N-ethyl-N-(oxolan-3-ylmethyl)-3-(propan-2-ylamino)propanamide
CID 54874267
3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-N,N-diethylpropanamide
CID 60926869
3-(1-cyclopropylpropan-2-ylamino)-N'-hydroxypropanimidamide
CID 77028692
N'-(1-cyclopropylpropan-2-yl)-N-methylpropane-1,3-diamine
CID 91064038
3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,N-diethylpropanamide
CID 60926634
3-[(3,3-dimethylcyclopentyl)amino]-N,N-diethylpropanamide
CID 80706316

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylpropan-2-ylamino)-N,N-diethylpropanamide?
The IUPAC name of 3-(1-cyclopropylpropan-2-ylamino)-N,N-diethylpropanamide (CID 115710436) is 3-(1-cyclopropylpropan-2-ylamino)-N,N-diethylpropanamide.
What is the SMILES notation for 3-(1-cyclopropylpropan-2-ylamino)-N,N-diethylpropanamide?
The canonical SMILES for 3-(1-cyclopropylpropan-2-ylamino)-N,N-diethylpropanamide is CCN(CC)C(=O)CCNC(C)CC1CC1.
What is the InChIKey of 3-(1-cyclopropylpropan-2-ylamino)-N,N-diethylpropanamide?
The InChIKey is ZJUJALRMOJHISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-15(5-2)13(16)8-9-14-11(3)10-12-6-7-12/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 3-(1-cyclopropylpropan-2-ylamino)-N,N-diethylpropanamide?
3-(1-cyclopropylpropan-2-ylamino)-N,N-diethylpropanamide has a molecular weight of 226.36 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylpropan-2-ylamino)-N,N-diethylpropanamide is sourced from PubChem (CID 115710436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).