azane;molecular hydrogen;bis(prop-1-ene)

C6H17N — CID 143707515

IUPACazane;molecular hydrogen;bis(prop-1-ene)
SMILESC=CC.C=CC.N.[H][H]
InChIInChI=1S/2C3H6.H3N.H2/c2*1-3-2;;/h2*3H,1H2,2H3;1H3;1H
InChIKeyRGTHCCQBJAMOLQ-UHFFFAOYSA-N
MW103.21 g/mol
LogP2.79
Rot. Bonds

About azane;molecular hydrogen;bis(prop-1-ene)

azane;molecular hydrogen;bis(prop-1-ene) (PubChem CID 143707515) has the molecular formula C6H17N and a molecular weight of 103.21 g/mol. Its IUPAC name is azane;molecular hydrogen;bis(prop-1-ene).

Molecular Properties

Compound Nameazane;molecular hydrogen;bis(prop-1-ene)
PubChem CID143707515
Molecular FormulaC6H17N
Molecular Weight103.21 g/mol
Exact Mass103.14
IUPAC Nameazane;molecular hydrogen;bis(prop-1-ene)
SMILESC=CC.C=CC.N.[H][H]
InChIInChI=1S/2C3H6.H3N.H2/c2*1-3-2;;/h2*3H,1H2,2H3;1H3;1H
InChIKeyRGTHCCQBJAMOLQ-UHFFFAOYSA-N
XLogP2.79
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.21
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze azane;molecular hydrogen;bis(prop-1-ene) 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

azane;tris(prop-1-ene)
CID 162019717
azane;tris(prop-1-ene)
CID 173323353
azane;cobalt;prop-1-ene
CID 173129508
prop-1-ene
CID 162178440
ethane;bis(prop-1-ene)
CID 91426438
ethene;tetrakis(prop-1-ene)
CID 158667737
λ2-plumbane;prop-1-ene
CID 173103273
ethane;tetrakis(prop-1-ene)
CID 90918926
bis(prop-1-ene);hydrate
CID 21257591
prop-1-ene;hydrochloride
CID 19097823
methanamine;prop-1-ene
CID 174317036
ethene;prop-1-ene;decahydrofluoride
CID 172847314

Frequently Asked Questions

What is the IUPAC name of azane;molecular hydrogen;bis(prop-1-ene)?
The IUPAC name of azane;molecular hydrogen;bis(prop-1-ene) (CID 143707515) is azane;molecular hydrogen;bis(prop-1-ene).
What is the SMILES notation for azane;molecular hydrogen;bis(prop-1-ene)?
The canonical SMILES for azane;molecular hydrogen;bis(prop-1-ene) is C=CC.C=CC.N.[H][H].
What is the InChIKey of azane;molecular hydrogen;bis(prop-1-ene)?
The InChIKey is RGTHCCQBJAMOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H6.H3N.H2/c2*1-3-2;;/h2*3H,1H2,2H3;1H3;1H.
What are the key properties of azane;molecular hydrogen;bis(prop-1-ene)?
azane;molecular hydrogen;bis(prop-1-ene) has a molecular weight of 103.21 g/mol, XLogP of 2.79, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;molecular hydrogen;bis(prop-1-ene) is sourced from PubChem (CID 143707515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).