N-[2-[amino(propyl)amino]ethyl]oxetan-3-amine

C8H19N3O — CID 163795998

IUPACN-[2-[amino(propyl)amino]ethyl]oxetan-3-amine
SMILESCCCN(N)CCNC1COC1
InChIInChI=1S/C8H19N3O/c1-2-4-11(9)5-3-10-8-6-12-7-8/h8,10H,2-7,9H2,1H3
InChIKeyNAVGLUQXGMJXDN-UHFFFAOYSA-N
MW173.26 g/mol
LogP-0.44
Rot. Bonds6

About N-[2-[amino(propyl)amino]ethyl]oxetan-3-amine

N-[2-[amino(propyl)amino]ethyl]oxetan-3-amine (PubChem CID 163795998) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is N-[2-[amino(propyl)amino]ethyl]oxetan-3-amine.

Molecular Properties

Compound NameN-[2-[amino(propyl)amino]ethyl]oxetan-3-amine
PubChem CID163795998
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC NameN-[2-[amino(propyl)amino]ethyl]oxetan-3-amine
SMILESCCCN(N)CCNC1COC1
InChIInChI=1S/C8H19N3O/c1-2-4-11(9)5-3-10-8-6-12-7-8/h8,10H,2-7,9H2,1H3
InChIKeyNAVGLUQXGMJXDN-UHFFFAOYSA-N
XLogP-0.44
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[amino(propyl)amino]ethyl]propan-1-amine
CID 143220507
ethane;N-ethyloxetan-3-amine
CID 156737426
N,N-dipropyloxetan-3-amine
CID 123858327
N-(2,6-dimethyloxan-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 113352479
N'-methyl-N-(oxolan-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 63335601
N-ethyloxetan-3-amine;oxalic acid
CID 118996693
(oxetan-3-ylamino)methanethiol
CID 123417020
N-(2-cyclohexylethyl)oxetan-3-amine
CID 63623286
tert-butyl N-(2-hydroxypropyl)-N-[2-(oxetan-3-ylamino)ethyl]carbamate
CID 107257085
N-propyloxan-4-amine
CID 18348908
N-[2-(2-methylprop-2-enoxy)ethyl]oxetan-3-amine
CID 114465933
(3S,4R)-4-[2-(diethylamino)ethylamino]oxolan-3-ol
CID 126846675

Frequently Asked Questions

What is the IUPAC name of N-[2-[amino(propyl)amino]ethyl]oxetan-3-amine?
The IUPAC name of N-[2-[amino(propyl)amino]ethyl]oxetan-3-amine (CID 163795998) is N-[2-[amino(propyl)amino]ethyl]oxetan-3-amine.
What is the SMILES notation for N-[2-[amino(propyl)amino]ethyl]oxetan-3-amine?
The canonical SMILES for N-[2-[amino(propyl)amino]ethyl]oxetan-3-amine is CCCN(N)CCNC1COC1.
What is the InChIKey of N-[2-[amino(propyl)amino]ethyl]oxetan-3-amine?
The InChIKey is NAVGLUQXGMJXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-2-4-11(9)5-3-10-8-6-12-7-8/h8,10H,2-7,9H2,1H3.
What are the key properties of N-[2-[amino(propyl)amino]ethyl]oxetan-3-amine?
N-[2-[amino(propyl)amino]ethyl]oxetan-3-amine has a molecular weight of 173.26 g/mol, XLogP of -0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[amino(propyl)amino]ethyl]oxetan-3-amine is sourced from PubChem (CID 163795998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).