N-butyl-N'-hex-2-enylmethanediamine

C11H24N2 — CID 123196716

IUPACN-butyl-N'-hex-2-enylmethanediamine
SMILESCCCC=CCNCNCCCC
InChIInChI=1S/C11H24N2/c1-3-5-7-8-10-13-11-12-9-6-4-2/h7-8,12-13H,3-6,9-11H2,1-2H3
InChIKeyGRPWLNRBVMIBDX-UHFFFAOYSA-N
MW184.33 g/mol
LogP2.28
Rot. Bonds9

About N-butyl-N'-hex-2-enylmethanediamine

N-butyl-N'-hex-2-enylmethanediamine (PubChem CID 123196716) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N-butyl-N'-hex-2-enylmethanediamine.

Molecular Properties

Compound NameN-butyl-N'-hex-2-enylmethanediamine
PubChem CID123196716
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN-butyl-N'-hex-2-enylmethanediamine
SMILESCCCC=CCNCNCCCC
InChIInChI=1S/C11H24N2/c1-3-5-7-8-10-13-11-12-9-6-4-2/h7-8,12-13H,3-6,9-11H2,1-2H3
InChIKeyGRPWLNRBVMIBDX-UHFFFAOYSA-N
XLogP2.28
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-methylhex-2-en-1-amine
CID 85238647
2-(hex-2-enylamino)ethanol
CID 173239159
N,N'-dioctylmethanediamine
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(Z)-N-hexadecyloctadec-9-en-1-amine
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(Z)-N-[(Z)-octadec-9-enyl]henicos-12-en-1-amine
CID 146653047
N-hex-2-enylformamide
CID 54372150
(E)-N-[(E)-heptadec-8-enyl]heptadec-8-en-1-amine
CID 162361236
N'-[(Z)-hept-3-enyl]propane-1,3-diamine
CID 134173214
pentadeca-4,10-diene
CID 54306056
(4E,9Z)-tetradeca-4,9-diene
CID 152732976
N-butylpent-3-en-1-amine
CID 73198487
N-butylbutan-1-amine;hydrochloride
CID 3083954

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-hex-2-enylmethanediamine?
The IUPAC name of N-butyl-N'-hex-2-enylmethanediamine (CID 123196716) is N-butyl-N'-hex-2-enylmethanediamine.
What is the SMILES notation for N-butyl-N'-hex-2-enylmethanediamine?
The canonical SMILES for N-butyl-N'-hex-2-enylmethanediamine is CCCC=CCNCNCCCC.
What is the InChIKey of N-butyl-N'-hex-2-enylmethanediamine?
The InChIKey is GRPWLNRBVMIBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-3-5-7-8-10-13-11-12-9-6-4-2/h7-8,12-13H,3-6,9-11H2,1-2H3.
What are the key properties of N-butyl-N'-hex-2-enylmethanediamine?
N-butyl-N'-hex-2-enylmethanediamine has a molecular weight of 184.33 g/mol, XLogP of 2.28, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-hex-2-enylmethanediamine is sourced from PubChem (CID 123196716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).