N,N'-bis(prop-2-enyl)butane-1,4-diamine

C10H20N2 — CID 13483151

IUPACN,N'-bis(prop-2-enyl)butane-1,4-diamine
SMILESC=CCNCCCCNCC=C
InChIInChI=1S/C10H20N2/c1-3-7-11-9-5-6-10-12-8-4-2/h3-4,11-12H,1-2,5-10H2
InChIKeyRBAZEUCBSBPTOR-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.32
Rot. Bonds9

About N,N'-bis(prop-2-enyl)butane-1,4-diamine

N,N'-bis(prop-2-enyl)butane-1,4-diamine (PubChem CID 13483151) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N,N'-bis(prop-2-enyl)butane-1,4-diamine.

Molecular Properties

Compound NameN,N'-bis(prop-2-enyl)butane-1,4-diamine
PubChem CID13483151
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN,N'-bis(prop-2-enyl)butane-1,4-diamine
SMILESC=CCNCCCCNCC=C
InChIInChI=1S/C10H20N2/c1-3-7-11-9-5-6-10-12-8-4-2/h3-4,11-12H,1-2,5-10H2
InChIKeyRBAZEUCBSBPTOR-UHFFFAOYSA-N
XLogP1.32
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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,N'-bis(prop-2-enyl)butane-1,4-diamine?
The IUPAC name of N,N'-bis(prop-2-enyl)butane-1,4-diamine (CID 13483151) is N,N'-bis(prop-2-enyl)butane-1,4-diamine.
What is the SMILES notation for N,N'-bis(prop-2-enyl)butane-1,4-diamine?
The canonical SMILES for N,N'-bis(prop-2-enyl)butane-1,4-diamine is C=CCNCCCCNCC=C.
What is the InChIKey of N,N'-bis(prop-2-enyl)butane-1,4-diamine?
The InChIKey is RBAZEUCBSBPTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-3-7-11-9-5-6-10-12-8-4-2/h3-4,11-12H,1-2,5-10H2.
What are the key properties of N,N'-bis(prop-2-enyl)butane-1,4-diamine?
N,N'-bis(prop-2-enyl)butane-1,4-diamine has a molecular weight of 168.28 g/mol, XLogP of 1.32, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(prop-2-enyl)butane-1,4-diamine is sourced from PubChem (CID 13483151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).