N'-but-3-enyl-N-ethyl-N,N'-dimethylethane-1,2-diamine

C10H22N2 — CID 142953317

IUPACN'-but-3-enyl-N-ethyl-N,N'-dimethylethane-1,2-diamine
SMILESC=CCCN(C)CCN(C)CC
InChIInChI=1S/C10H22N2/c1-5-7-8-12(4)10-9-11(3)6-2/h5H,1,6-10H2,2-4H3
InChIKeyOENLBMFWJUSOGV-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.45
Rot. Bonds7

About N'-but-3-enyl-N-ethyl-N,N'-dimethylethane-1,2-diamine

N'-but-3-enyl-N-ethyl-N,N'-dimethylethane-1,2-diamine (PubChem CID 142953317) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N'-but-3-enyl-N-ethyl-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-but-3-enyl-N-ethyl-N,N'-dimethylethane-1,2-diamine
PubChem CID142953317
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN'-but-3-enyl-N-ethyl-N,N'-dimethylethane-1,2-diamine
SMILESC=CCCN(C)CCN(C)CC
InChIInChI=1S/C10H22N2/c1-5-7-8-12(4)10-9-11(3)6-2/h5H,1,6-10H2,2-4H3
InChIKeyOENLBMFWJUSOGV-UHFFFAOYSA-N
XLogP1.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[but-3-enyl(methyl)amino]butan-2-ol
CID 115665768
N-methyl-N-propylpent-4-en-1-amine
CID 91551262
(E)-N-ethyl-N-methylpent-3-en-1-amine
CID 147558495
N-(2-bromoprop-2-enyl)-N-methylbut-3-en-1-amine
CID 13113540
3-[ethenyl(dimethyl)silyl]-N-ethyl-N-methylpropan-1-amine
CID 87398980
ethene;N-ethyl-N-methylpropan-1-amine
CID 153352940
carbanide;N,N-dimethylbut-3-en-1-amine;hexa-1,5-diene;tris(platinum(4+));N,N,N',N'-tetramethylethane-1,2-diamine
CID 161382891
2-[dimethylamino(methyl)amino]-N-ethyl-N-methylethanamine
CID 167248768
N-benzyl-N-methylbut-3-en-1-amine
CID 10702410
2-[but-3-enyl(methyl)amino]ethyl 2-methylprop-2-enoate
CID 87914656
ethane;N-ethyl-N'-(2-methoxyethyl)-N,N'-dimethylethane-1,2-diamine
CID 143417410
ethane;N-[2-[ethyl(methyl)amino]ethyl]-N-methylformamide
CID 143536521

Frequently Asked Questions

What is the IUPAC name of N'-but-3-enyl-N-ethyl-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-but-3-enyl-N-ethyl-N,N'-dimethylethane-1,2-diamine (CID 142953317) is N'-but-3-enyl-N-ethyl-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-but-3-enyl-N-ethyl-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-but-3-enyl-N-ethyl-N,N'-dimethylethane-1,2-diamine is C=CCCN(C)CCN(C)CC.
What is the InChIKey of N'-but-3-enyl-N-ethyl-N,N'-dimethylethane-1,2-diamine?
The InChIKey is OENLBMFWJUSOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-5-7-8-12(4)10-9-11(3)6-2/h5H,1,6-10H2,2-4H3.
What are the key properties of N'-but-3-enyl-N-ethyl-N,N'-dimethylethane-1,2-diamine?
N'-but-3-enyl-N-ethyl-N,N'-dimethylethane-1,2-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-but-3-enyl-N-ethyl-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 142953317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).