N-[2-(cyclopropylamino)ethyl]-3-methylpentanamide

C11H22N2O — CID 114875591

IUPACN-[2-(cyclopropylamino)ethyl]-3-methylpentanamide
SMILESCCC(C)CC(=O)NCCNC1CC1
InChIInChI=1S/C11H22N2O/c1-3-9(2)8-11(14)13-7-6-12-10-4-5-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyMKWUHYVWQDLWCN-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.29
Rot. Bonds7

About N-[2-(cyclopropylamino)ethyl]-3-methylpentanamide

N-[2-(cyclopropylamino)ethyl]-3-methylpentanamide (PubChem CID 114875591) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)ethyl]-3-methylpentanamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)ethyl]-3-methylpentanamide
PubChem CID114875591
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-[2-(cyclopropylamino)ethyl]-3-methylpentanamide
SMILESCCC(C)CC(=O)NCCNC1CC1
InChIInChI=1S/C11H22N2O/c1-3-9(2)8-11(14)13-7-6-12-10-4-5-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyMKWUHYVWQDLWCN-UHFFFAOYSA-N
XLogP1.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(cyclopropylamino)propyl]-3-methylbutanamide
CID 43596351
N-[3-(cyclopropylamino)propyl]-3,5,5-trimethylhexanamide
CID 43596504
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(cyclopropylamino)propanamide
CID 54901207
(3R)-N-(3-hydroxypropyl)-3-methylpentanamide
CID 173107720
3-methyl-N-(5-methylheptyl)pentanamide
CID 177365994
N-(4-hydroxypentyl)-3-methylpentanamide
CID 107300592
3-methyl-N-(3-methylcyclopentyl)pentanamide
CID 114875354
N-(4,6-dimethyloct-3-enyl)cyclopropanamine
CID 79598638
N-[(3-chlorocyclohexyl)methyl]-3-methylpentanamide
CID 106132381
2-hydroxy-4-(3-methylpentanoylamino)butanoic acid
CID 107832068
1-(cyclopentylamino)-4-methylhexan-2-one
CID 116558992
N-(4-methylhexyl)cyclopropanamine
CID 62529631

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)ethyl]-3-methylpentanamide?
The IUPAC name of N-[2-(cyclopropylamino)ethyl]-3-methylpentanamide (CID 114875591) is N-[2-(cyclopropylamino)ethyl]-3-methylpentanamide.
What is the SMILES notation for N-[2-(cyclopropylamino)ethyl]-3-methylpentanamide?
The canonical SMILES for N-[2-(cyclopropylamino)ethyl]-3-methylpentanamide is CCC(C)CC(=O)NCCNC1CC1.
What is the InChIKey of N-[2-(cyclopropylamino)ethyl]-3-methylpentanamide?
The InChIKey is MKWUHYVWQDLWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-9(2)8-11(14)13-7-6-12-10-4-5-10/h9-10,12H,3-8H2,1-2H3,(H,13,14).
What are the key properties of N-[2-(cyclopropylamino)ethyl]-3-methylpentanamide?
N-[2-(cyclopropylamino)ethyl]-3-methylpentanamide has a molecular weight of 198.31 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)ethyl]-3-methylpentanamide is sourced from PubChem (CID 114875591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).