1-N-butan-2-yl-1-N',1-N'-dimethylethene-1,1-diamine

C8H18N2 — CID 22942577

IUPAC1-N-butan-2-yl-1-N',1-N'-dimethylethene-1,1-diamine
SMILESC=C(NC(C)CC)N(C)C
InChIInChI=1S/C8H18N2/c1-6-7(2)9-8(3)10(4)5/h7,9H,3,6H2,1-2,4-5H3
InChIKeyGCFAIPSIMLXPEC-UHFFFAOYSA-N
MW142.25 g/mol
LogP1.41
Rot. Bonds4

About 1-N-butan-2-yl-1-N',1-N'-dimethylethene-1,1-diamine

1-N-butan-2-yl-1-N',1-N'-dimethylethene-1,1-diamine (PubChem CID 22942577) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 1-N-butan-2-yl-1-N',1-N'-dimethylethene-1,1-diamine.

Molecular Properties

Compound Name1-N-butan-2-yl-1-N',1-N'-dimethylethene-1,1-diamine
PubChem CID22942577
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name1-N-butan-2-yl-1-N',1-N'-dimethylethene-1,1-diamine
SMILESC=C(NC(C)CC)N(C)C
InChIInChI=1S/C8H18N2/c1-6-7(2)9-8(3)10(4)5/h7,9H,3,6H2,1-2,4-5H3
InChIKeyGCFAIPSIMLXPEC-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

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Frequently Asked Questions

What is the IUPAC name of 1-N-butan-2-yl-1-N',1-N'-dimethylethene-1,1-diamine?
The IUPAC name of 1-N-butan-2-yl-1-N',1-N'-dimethylethene-1,1-diamine (CID 22942577) is 1-N-butan-2-yl-1-N',1-N'-dimethylethene-1,1-diamine.
What is the SMILES notation for 1-N-butan-2-yl-1-N',1-N'-dimethylethene-1,1-diamine?
The canonical SMILES for 1-N-butan-2-yl-1-N',1-N'-dimethylethene-1,1-diamine is C=C(NC(C)CC)N(C)C.
What is the InChIKey of 1-N-butan-2-yl-1-N',1-N'-dimethylethene-1,1-diamine?
The InChIKey is GCFAIPSIMLXPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-6-7(2)9-8(3)10(4)5/h7,9H,3,6H2,1-2,4-5H3.
What are the key properties of 1-N-butan-2-yl-1-N',1-N'-dimethylethene-1,1-diamine?
1-N-butan-2-yl-1-N',1-N'-dimethylethene-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-butan-2-yl-1-N',1-N'-dimethylethene-1,1-diamine is sourced from PubChem (CID 22942577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).