N-[3-(cyclopropylamino)propyl]-3-methoxy-3-methylbutanamide

C12H24N2O2 — CID 103021358

IUPACN-[3-(cyclopropylamino)propyl]-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)NCCCNC1CC1
InChIInChI=1S/C12H24N2O2/c1-12(2,16-3)9-11(15)14-8-4-7-13-10-5-6-10/h10,13H,4-9H2,1-3H3,(H,14,15)
InChIKeyDYSGMRSIDGXAPB-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.06
Rot. Bonds8

About N-[3-(cyclopropylamino)propyl]-3-methoxy-3-methylbutanamide

N-[3-(cyclopropylamino)propyl]-3-methoxy-3-methylbutanamide (PubChem CID 103021358) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[3-(cyclopropylamino)propyl]-3-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-[3-(cyclopropylamino)propyl]-3-methoxy-3-methylbutanamide
PubChem CID103021358
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-[3-(cyclopropylamino)propyl]-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)NCCCNC1CC1
InChIInChI=1S/C12H24N2O2/c1-12(2,16-3)9-11(15)14-8-4-7-13-10-5-6-10/h10,13H,4-9H2,1-3H3,(H,14,15)
InChIKeyDYSGMRSIDGXAPB-UHFFFAOYSA-N
XLogP1.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(cyclopropylamino)propyl]-2,2-dimethylpropanamide
CID 43596452
N-(6-aminohexyl)-3-methoxy-3-methylbutanamide
CID 107843909
methyl 6-[(3-methoxy-3-methylbutanoyl)amino]hexanoate
CID 103021720
N-[3-(cyclopropylamino)propyl]-3-methylbutanamide
CID 43596351
N-[3-(cyclopropylamino)propyl]acetamide
CID 43596501
N-[3-(cyclopropylamino)propyl]-3,5,5-trimethylhexanamide
CID 43596504
3-methoxy-3-methyl-N-[2-(propylamino)ethyl]butanamide
CID 103021411
N-[3-(cyclopropylamino)propyl]but-3-enamide
CID 62677792
3-methoxy-N,3-dimethyl-N-[4-(propylamino)cyclohexyl]butanamide
CID 103017156
3-methoxy-3-methyl-N-(3-methylcyclopentyl)butanamide
CID 103021030
3-methoxy-3-methyl-N-pent-3-ynylbutanamide
CID 103022333
4-chloro-N-(3-methoxy-3-methylbutyl)cyclohexan-1-amine
CID 103037173

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylamino)propyl]-3-methoxy-3-methylbutanamide?
The IUPAC name of N-[3-(cyclopropylamino)propyl]-3-methoxy-3-methylbutanamide (CID 103021358) is N-[3-(cyclopropylamino)propyl]-3-methoxy-3-methylbutanamide.
What is the SMILES notation for N-[3-(cyclopropylamino)propyl]-3-methoxy-3-methylbutanamide?
The canonical SMILES for N-[3-(cyclopropylamino)propyl]-3-methoxy-3-methylbutanamide is COC(C)(C)CC(=O)NCCCNC1CC1.
What is the InChIKey of N-[3-(cyclopropylamino)propyl]-3-methoxy-3-methylbutanamide?
The InChIKey is DYSGMRSIDGXAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(2,16-3)9-11(15)14-8-4-7-13-10-5-6-10/h10,13H,4-9H2,1-3H3,(H,14,15).
What are the key properties of N-[3-(cyclopropylamino)propyl]-3-methoxy-3-methylbutanamide?
N-[3-(cyclopropylamino)propyl]-3-methoxy-3-methylbutanamide has a molecular weight of 228.34 g/mol, XLogP of 1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylamino)propyl]-3-methoxy-3-methylbutanamide is sourced from PubChem (CID 103021358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).