N-[4-[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]butyl]cyclopropanamine

C14H23N3O — CID 66322123

IUPACN-[4-[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]butyl]cyclopropanamine
SMILESc1c(CNC2CC2)noc1CCCCNC1CC1
InChIInChI=1S/C14H23N3O/c1(2-8-15-11-4-5-11)3-14-9-13(17-18-14)10-16-12-6-7-12/h9,11-12,15-16H,1-8,10H2
InChIKeyHQDRGDQYKGYHIB-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.00
Rot. Bonds9

About N-[4-[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]butyl]cyclopropanamine

N-[4-[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]butyl]cyclopropanamine (PubChem CID 66322123) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[4-[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]butyl]cyclopropanamine
PubChem CID66322123
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[4-[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]butyl]cyclopropanamine
SMILESc1c(CNC2CC2)noc1CCCCNC1CC1
InChIInChI=1S/C14H23N3O/c1(2-8-15-11-4-5-11)3-14-9-13(17-18-14)10-16-12-6-7-12/h9,11-12,15-16H,1-8,10H2
InChIKeyHQDRGDQYKGYHIB-UHFFFAOYSA-N
XLogP2.00
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]butyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-(diethylaminomethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62439222
N-[4-[6-[(cyclopropylamino)methyl]-2-pyridinyl]butyl]cyclopropanamine
CID 106906810
N-[[5-(3-methoxypropoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62440537
N-[[5-[(dibutylamino)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62418473
N-[[5-(2-butoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62457342
N-[[5-(4,4,4-trifluorobutoxymethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 82792305
N-[[5-[2-(3-methoxypropoxy)ethoxymethyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 103180982
N-[[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 55070405
N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-N-methylcycloheptanamine
CID 62433873
N-[[5-[[methyl(pentan-3-yl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 55074758
N-[[5-[(2,4,5-trichlorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62449798
N-[4-[5-[(cyclopropylamino)methyl]thiophen-2-yl]butyl]cyclopropanamine
CID 107557088

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]butyl]cyclopropanamine?
The IUPAC name of N-[4-[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]butyl]cyclopropanamine (CID 66322123) is N-[4-[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]butyl]cyclopropanamine.
What is the SMILES notation for N-[4-[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]butyl]cyclopropanamine?
The canonical SMILES for N-[4-[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]butyl]cyclopropanamine is c1c(CNC2CC2)noc1CCCCNC1CC1.
What is the InChIKey of N-[4-[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]butyl]cyclopropanamine?
The InChIKey is HQDRGDQYKGYHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1(2-8-15-11-4-5-11)3-14-9-13(17-18-14)10-16-12-6-7-12/h9,11-12,15-16H,1-8,10H2.
What are the key properties of N-[4-[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]butyl]cyclopropanamine?
N-[4-[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]butyl]cyclopropanamine has a molecular weight of 249.36 g/mol, XLogP of 2.00, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]butyl]cyclopropanamine is sourced from PubChem (CID 66322123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).