N'-but-1-en-2-yl-N-ethylethane-1,2-diamine

C8H18N2 — CID 59197969

IUPACN'-but-1-en-2-yl-N-ethylethane-1,2-diamine
SMILESC=C(CC)NCCNCC
InChIInChI=1S/C8H18N2/c1-4-8(3)10-7-6-9-5-2/h9-10H,3-7H2,1-2H3
InChIKeyGIXCSSMCPRCPCH-UHFFFAOYSA-N
MW142.25 g/mol
LogP1.11
Rot. Bonds6

About N'-but-1-en-2-yl-N-ethylethane-1,2-diamine

N'-but-1-en-2-yl-N-ethylethane-1,2-diamine (PubChem CID 59197969) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N'-but-1-en-2-yl-N-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-but-1-en-2-yl-N-ethylethane-1,2-diamine
PubChem CID59197969
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN'-but-1-en-2-yl-N-ethylethane-1,2-diamine
SMILESC=C(CC)NCCNCC
InChIInChI=1S/C8H18N2/c1-4-8(3)10-7-6-9-5-2/h9-10H,3-7H2,1-2H3
InChIKeyGIXCSSMCPRCPCH-UHFFFAOYSA-N
XLogP1.11
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-but-1-en-2-yl-N-ethylethane-1,2-diamine?
The IUPAC name of N'-but-1-en-2-yl-N-ethylethane-1,2-diamine (CID 59197969) is N'-but-1-en-2-yl-N-ethylethane-1,2-diamine.
What is the SMILES notation for N'-but-1-en-2-yl-N-ethylethane-1,2-diamine?
The canonical SMILES for N'-but-1-en-2-yl-N-ethylethane-1,2-diamine is C=C(CC)NCCNCC.
What is the InChIKey of N'-but-1-en-2-yl-N-ethylethane-1,2-diamine?
The InChIKey is GIXCSSMCPRCPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-4-8(3)10-7-6-9-5-2/h9-10H,3-7H2,1-2H3.
What are the key properties of N'-but-1-en-2-yl-N-ethylethane-1,2-diamine?
N'-but-1-en-2-yl-N-ethylethane-1,2-diamine has a molecular weight of 142.25 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-but-1-en-2-yl-N-ethylethane-1,2-diamine is sourced from PubChem (CID 59197969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).