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

C10H21N3 — CID 15001043

IUPACN'-prop-2-enyl-N-[2-(prop-2-enylamino)ethyl]ethane-1,2-diamine
SMILESC=CCNCCNCCNCC=C
InChIInChI=1S/C10H21N3/c1-3-5-11-7-9-13-10-8-12-6-4-2/h3-4,11-13H,1-2,5-10H2
InChIKeySMRBWPYNGXLDBB-UHFFFAOYSA-N
MW183.30 g/mol
LogP0.13
Rot. Bonds10

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

N'-prop-2-enyl-N-[2-(prop-2-enylamino)ethyl]ethane-1,2-diamine (PubChem CID 15001043) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is N'-prop-2-enyl-N-[2-(prop-2-enylamino)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-prop-2-enyl-N-[2-(prop-2-enylamino)ethyl]ethane-1,2-diamine
PubChem CID15001043
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC NameN'-prop-2-enyl-N-[2-(prop-2-enylamino)ethyl]ethane-1,2-diamine
SMILESC=CCNCCNCCNCC=C
InChIInChI=1S/C10H21N3/c1-3-5-11-7-9-13-10-8-12-6-4-2/h3-4,11-13H,1-2,5-10H2
InChIKeySMRBWPYNGXLDBB-UHFFFAOYSA-N
XLogP0.13
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 50.13
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'-prop-2-enyl-N-[2-(prop-2-enylamino)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-prop-2-enyl-N-[2-(prop-2-enylamino)ethyl]ethane-1,2-diamine (CID 15001043) is N'-prop-2-enyl-N-[2-(prop-2-enylamino)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-prop-2-enyl-N-[2-(prop-2-enylamino)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-prop-2-enyl-N-[2-(prop-2-enylamino)ethyl]ethane-1,2-diamine is C=CCNCCNCCNCC=C.
What is the InChIKey of N'-prop-2-enyl-N-[2-(prop-2-enylamino)ethyl]ethane-1,2-diamine?
The InChIKey is SMRBWPYNGXLDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-3-5-11-7-9-13-10-8-12-6-4-2/h3-4,11-13H,1-2,5-10H2.
What are the key properties of N'-prop-2-enyl-N-[2-(prop-2-enylamino)ethyl]ethane-1,2-diamine?
N'-prop-2-enyl-N-[2-(prop-2-enylamino)ethyl]ethane-1,2-diamine has a molecular weight of 183.30 g/mol, XLogP of 0.13, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-prop-2-enyl-N-[2-(prop-2-enylamino)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 15001043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).