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

C8H18N2 — CID 146392587

IUPAC1-N-but-1-en-2-yl-1-N',1-N'-dimethylethane-1,1-diamine
SMILESC=C(CC)NC(C)N(C)C
InChIInChI=1S/C8H18N2/c1-6-7(2)9-8(3)10(4)5/h8-9H,2,6H2,1,3-5H3
InChIKeyNUBUOWKDGJCBRJ-UHFFFAOYSA-N
MW142.25 g/mol
LogP1.41
Rot. Bonds4

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

1-N-but-1-en-2-yl-1-N',1-N'-dimethylethane-1,1-diamine (PubChem CID 146392587) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 1-N-but-1-en-2-yl-1-N',1-N'-dimethylethane-1,1-diamine.

Molecular Properties

Compound Name1-N-but-1-en-2-yl-1-N',1-N'-dimethylethane-1,1-diamine
PubChem CID146392587
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name1-N-but-1-en-2-yl-1-N',1-N'-dimethylethane-1,1-diamine
SMILESC=C(CC)NC(C)N(C)C
InChIInChI=1S/C8H18N2/c1-6-7(2)9-8(3)10(4)5/h8-9H,2,6H2,1,3-5H3
InChIKeyNUBUOWKDGJCBRJ-UHFFFAOYSA-N
XLogP1.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 121345273
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CID 145082166
1-(dimethylamino)ethylurea
CID 169101887
N-but-1-en-2-yl-5,5-dimethyl-4-methylidenehexan-3-amine
CID 155468081
1-N'-but-1-en-2-ylethene-1,1-diamine
CID 166131853
N-(3-methylbut-1-en-2-yl)propanamide
CID 144633988
N-but-1-en-2-ylthiohydroxylamine
CID 89343017
4-bromo-N,N-dimethylpent-4-en-2-amine
CID 146393047
N-but-1-en-2-yl-N'-ethyl-N'-methylethane-1,2-diamine
CID 176941787
2-N-ethyl-1-N-methyl-1-N-propan-2-ylprop-2-ene-1,2-diamine
CID 134600399
N-[5-(dimethylamino)hexan-2-yl]acetamide
CID 59721263

Frequently Asked Questions

What is the IUPAC name of 1-N-but-1-en-2-yl-1-N',1-N'-dimethylethane-1,1-diamine?
The IUPAC name of 1-N-but-1-en-2-yl-1-N',1-N'-dimethylethane-1,1-diamine (CID 146392587) is 1-N-but-1-en-2-yl-1-N',1-N'-dimethylethane-1,1-diamine.
What is the SMILES notation for 1-N-but-1-en-2-yl-1-N',1-N'-dimethylethane-1,1-diamine?
The canonical SMILES for 1-N-but-1-en-2-yl-1-N',1-N'-dimethylethane-1,1-diamine is C=C(CC)NC(C)N(C)C.
What is the InChIKey of 1-N-but-1-en-2-yl-1-N',1-N'-dimethylethane-1,1-diamine?
The InChIKey is NUBUOWKDGJCBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-6-7(2)9-8(3)10(4)5/h8-9H,2,6H2,1,3-5H3.
What are the key properties of 1-N-but-1-en-2-yl-1-N',1-N'-dimethylethane-1,1-diamine?
1-N-but-1-en-2-yl-1-N',1-N'-dimethylethane-1,1-diamine has a molecular weight of 142.25 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-but-1-en-2-yl-1-N',1-N'-dimethylethane-1,1-diamine is sourced from PubChem (CID 146392587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).