2-but-2-en-2-yl-N',N'-dimethylbutane-1,4-diamine

C10H22N2 — CID 123775469

IUPAC2-but-2-en-2-yl-N',N'-dimethylbutane-1,4-diamine
SMILESCC=C(C)C(CN)CCN(C)C
InChIInChI=1S/C10H22N2/c1-5-9(2)10(8-11)6-7-12(3)4/h5,10H,6-8,11H2,1-4H3
InChIKeyALICQOSENSSOMY-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.48
Rot. Bonds5

About 2-but-2-en-2-yl-N',N'-dimethylbutane-1,4-diamine

2-but-2-en-2-yl-N',N'-dimethylbutane-1,4-diamine (PubChem CID 123775469) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 2-but-2-en-2-yl-N',N'-dimethylbutane-1,4-diamine.

Molecular Properties

Compound Name2-but-2-en-2-yl-N',N'-dimethylbutane-1,4-diamine
PubChem CID123775469
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name2-but-2-en-2-yl-N',N'-dimethylbutane-1,4-diamine
SMILESCC=C(C)C(CN)CCN(C)C
InChIInChI=1S/C10H22N2/c1-5-9(2)10(8-11)6-7-12(3)4/h5,10H,6-8,11H2,1-4H3
InChIKeyALICQOSENSSOMY-UHFFFAOYSA-N
XLogP1.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 49627
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CID 17754176
(2,6-Dimethylhept-5-en-1-yl)(methyl)amine
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2-(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)ethan-1-amine
CID 71757538
(E)-8-fluoro-N,2,4,7-tetramethyloct-6-en-1-amine
CID 134388221
(Z)-2-butan-2-yl-4-(fluoromethyl)-N,5-dimethylhex-3-en-1-amine
CID 146321030
1,3-Propanediamine, N'-[(3S)-3,7-dimethyl-6-octenyl]-N,N-dimethyl-
CID 2298843
2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-amine
CID 57040750
2,4-Dimethyloct-4-ene-1,8-diamine
CID 57077961
2,4,6-Trimethylhept-3-ene-1,7-diamine
CID 57246024
4-(2-Methylprop-1-en-1-yl)piperidine
CID 57416274

Frequently Asked Questions

What is the IUPAC name of 2-but-2-en-2-yl-N',N'-dimethylbutane-1,4-diamine?
The IUPAC name of 2-but-2-en-2-yl-N',N'-dimethylbutane-1,4-diamine (CID 123775469) is 2-but-2-en-2-yl-N',N'-dimethylbutane-1,4-diamine.
What is the SMILES notation for 2-but-2-en-2-yl-N',N'-dimethylbutane-1,4-diamine?
The canonical SMILES for 2-but-2-en-2-yl-N',N'-dimethylbutane-1,4-diamine is CC=C(C)C(CN)CCN(C)C.
What is the InChIKey of 2-but-2-en-2-yl-N',N'-dimethylbutane-1,4-diamine?
The InChIKey is ALICQOSENSSOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-5-9(2)10(8-11)6-7-12(3)4/h5,10H,6-8,11H2,1-4H3.
What are the key properties of 2-but-2-en-2-yl-N',N'-dimethylbutane-1,4-diamine?
2-but-2-en-2-yl-N',N'-dimethylbutane-1,4-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-en-2-yl-N',N'-dimethylbutane-1,4-diamine is sourced from PubChem (CID 123775469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).