N'-[2-(prop-2-enylamino)ethyl]ethane-1,2-diamine

C7H17N3 — CID 15001042

IUPACN'-[2-(prop-2-enylamino)ethyl]ethane-1,2-diamine
SMILESC=CCNCCNCCN
InChIInChI=1S/C7H17N3/c1-2-4-9-6-7-10-5-3-8/h2,9-10H,1,3-8H2
InChIKeyQQTDNXGRTOHWRH-UHFFFAOYSA-N
MW143.23 g/mol
LogP-0.69
Rot. Bonds7

About N'-[2-(prop-2-enylamino)ethyl]ethane-1,2-diamine

N'-[2-(prop-2-enylamino)ethyl]ethane-1,2-diamine (PubChem CID 15001042) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is N'-[2-(prop-2-enylamino)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(prop-2-enylamino)ethyl]ethane-1,2-diamine
PubChem CID15001042
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC NameN'-[2-(prop-2-enylamino)ethyl]ethane-1,2-diamine
SMILESC=CCNCCNCCN
InChIInChI=1S/C7H17N3/c1-2-4-9-6-7-10-5-3-8/h2,9-10H,1,3-8H2
InChIKeyQQTDNXGRTOHWRH-UHFFFAOYSA-N
XLogP-0.69
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(prop-2-enylamino)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(prop-2-enylamino)ethyl]ethane-1,2-diamine (CID 15001042) is N'-[2-(prop-2-enylamino)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(prop-2-enylamino)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(prop-2-enylamino)ethyl]ethane-1,2-diamine is C=CCNCCNCCN.
What is the InChIKey of N'-[2-(prop-2-enylamino)ethyl]ethane-1,2-diamine?
The InChIKey is QQTDNXGRTOHWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3/c1-2-4-9-6-7-10-5-3-8/h2,9-10H,1,3-8H2.
What are the key properties of N'-[2-(prop-2-enylamino)ethyl]ethane-1,2-diamine?
N'-[2-(prop-2-enylamino)ethyl]ethane-1,2-diamine has a molecular weight of 143.23 g/mol, XLogP of -0.69, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(prop-2-enylamino)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 15001042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).