azane;1-ethenoxypropan-1-amine

C5H14N2O — CID 137499271

IUPACazane;1-ethenoxypropan-1-amine
SMILESC=COC(N)CC.N
InChIInChI=1S/C5H11NO.H3N/c1-3-5(6)7-4-2;/h4-5H,2-3,6H2,1H3;1H3
InChIKeyJNVSPJCBPQSKKQ-UHFFFAOYSA-N
MW118.18 g/mol
LogP1.00
Rot. Bonds3

About azane;1-ethenoxypropan-1-amine

azane;1-ethenoxypropan-1-amine (PubChem CID 137499271) has the molecular formula C5H14N2O and a molecular weight of 118.18 g/mol. Its IUPAC name is azane;1-ethenoxypropan-1-amine.

Molecular Properties

Compound Nameazane;1-ethenoxypropan-1-amine
PubChem CID137499271
Molecular FormulaC5H14N2O
Molecular Weight118.18 g/mol
Exact Mass118.11
IUPAC Nameazane;1-ethenoxypropan-1-amine
SMILESC=COC(N)CC.N
InChIInChI=1S/C5H11NO.H3N/c1-3-5(6)7-4-2;/h4-5H,2-3,6H2,1H3;1H3
InChIKeyJNVSPJCBPQSKKQ-UHFFFAOYSA-N
XLogP1.00
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze azane;1-ethenoxypropan-1-amine 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

ethenoxyethene;propane-1,1-diamine
CID 137499273
2-ethenoxybutane
CID 13172912
1-ethenoxy-2-methylpropan-1-amine
CID 154106005
1-aminopropyl prop-2-enoate;butane
CID 87190109
4-ethenoxyheptane
CID 59883029
3-ethenoxypentanal
CID 175294702
1,1-bis(ethenoxy)octadecane
CID 19822568
2-ethenoxybutoxysilane
CID 154147288
(4-ethenoxy-3-ethenylhex-1-en-3-yl)silane
CID 173390382
ethyl 3-ethenoxy-2-methylidenebutanoate
CID 139891834
ethane;1-ethenoxyethanol
CID 143819454
1-ethenoxyethyl(diethyl)arsane
CID 87996822

Frequently Asked Questions

What is the IUPAC name of azane;1-ethenoxypropan-1-amine?
The IUPAC name of azane;1-ethenoxypropan-1-amine (CID 137499271) is azane;1-ethenoxypropan-1-amine.
What is the SMILES notation for azane;1-ethenoxypropan-1-amine?
The canonical SMILES for azane;1-ethenoxypropan-1-amine is C=COC(N)CC.N.
What is the InChIKey of azane;1-ethenoxypropan-1-amine?
The InChIKey is JNVSPJCBPQSKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.H3N/c1-3-5(6)7-4-2;/h4-5H,2-3,6H2,1H3;1H3.
What are the key properties of azane;1-ethenoxypropan-1-amine?
azane;1-ethenoxypropan-1-amine has a molecular weight of 118.18 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-ethenoxypropan-1-amine is sourced from PubChem (CID 137499271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).