3-(cyclopropylamino)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide

C12H24N2O2 — CID 62519982

IUPAC3-(cyclopropylamino)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide
SMILESCCC(CC)(CO)NC(=O)CCNC1CC1
InChIInChI=1S/C12H24N2O2/c1-3-12(4-2,9-15)14-11(16)7-8-13-10-5-6-10/h10,13,15H,3-9H2,1-2H3,(H,14,16)
InChIKeyFSARTAKPUKBNSK-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.80
Rot. Bonds8

About 3-(cyclopropylamino)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide

3-(cyclopropylamino)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide (PubChem CID 62519982) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide
PubChem CID62519982
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-(cyclopropylamino)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide
SMILESCCC(CC)(CO)NC(=O)CCNC1CC1
InChIInChI=1S/C12H24N2O2/c1-3-12(4-2,9-15)14-11(16)7-8-13-10-5-6-10/h10,13,15H,3-9H2,1-2H3,(H,14,16)
InChIKeyFSARTAKPUKBNSK-UHFFFAOYSA-N
XLogP0.80
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropylamino)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 60841584
2-(cyclopentylamino)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 114010606
N-tert-butyl-3-(cyclooctylamino)propanamide
CID 112688516
N-[3-[3-(hydroxymethyl)pentan-3-ylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 62519781
6-[3-(hydroxymethyl)pentan-3-ylamino]-6-oxohexanoic acid
CID 62523466
N-[3-(hydroxymethyl)pentan-3-yl]octanamide
CID 55082633
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methylsulfanylpropanamide
CID 104630014
N-[3-(hydroxymethyl)pentan-3-yl]dodecanamide
CID 65427888
3-(cyclopropylamino)-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 60867060
3-(cyclopropylamino)-N-(2-ethylcyclohexyl)propanamide
CID 60867081
2-[3-(cyclopropylamino)propanoylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79799108
3-(cyclobutylamino)-N-cyclopropylpropanamide
CID 62627198

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide?
The IUPAC name of 3-(cyclopropylamino)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide (CID 62519982) is 3-(cyclopropylamino)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide?
The canonical SMILES for 3-(cyclopropylamino)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide is CCC(CC)(CO)NC(=O)CCNC1CC1.
What is the InChIKey of 3-(cyclopropylamino)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide?
The InChIKey is FSARTAKPUKBNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-12(4-2,9-15)14-11(16)7-8-13-10-5-6-10/h10,13,15H,3-9H2,1-2H3,(H,14,16).
What are the key properties of 3-(cyclopropylamino)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide?
3-(cyclopropylamino)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide has a molecular weight of 228.34 g/mol, XLogP of 0.80, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide is sourced from PubChem (CID 62519982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).