1-N,1-N-dimethylbut-3-ene-1,3-diamine

C6H14N2 — CID 143041369

IUPAC1-N,1-N-dimethylbut-3-ene-1,3-diamine
SMILESC=C(N)CCN(C)C
InChIInChI=1S/C6H14N2/c1-6(7)4-5-8(2)3/h1,4-5,7H2,2-3H3
InChIKeyHHCTXHVEVZZAJW-UHFFFAOYSA-N
MW114.19 g/mol
LogP0.41
Rot. Bonds3

About 1-N,1-N-dimethylbut-3-ene-1,3-diamine

1-N,1-N-dimethylbut-3-ene-1,3-diamine (PubChem CID 143041369) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is 1-N,1-N-dimethylbut-3-ene-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethylbut-3-ene-1,3-diamine
PubChem CID143041369
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name1-N,1-N-dimethylbut-3-ene-1,3-diamine
SMILESC=C(N)CCN(C)C
InChIInChI=1S/C6H14N2/c1-6(7)4-5-8(2)3/h1,4-5,7H2,2-3H3
InChIKeyHHCTXHVEVZZAJW-UHFFFAOYSA-N
XLogP0.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(dimethylamino)-2-methylidenebutanamide;hydrochloride
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5-(dimethylamino)-2-methylidenepentanamide
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3-(dimethylamino)propanimidamide;dihydrochloride
CID 47002520
4-(dimethylamino)-2-methylidenebutanoic acid;hydrochloride
CID 87206674
16-(dimethylamino)-2-methylidenehexadecanamide
CID 23169563
prop-2-enyl 4-(dimethylamino)-2-methylidenebutanoate
CID 87182832
copper;bis(2-(dimethylamino)ethanol)
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CID 161066727
CID 161066727
4-(dimethylamino)butanethioamide;hydrochloride
CID 18941076
4-(dimethylamino)-N'-hydroxybutanimidamide
CID 74314081
2-chloropropane;4-(dimethylamino)-2-methylidenebutanoic acid
CID 87787659
3,4,4-trichloro-N,N-dimethylbut-3-en-1-amine
CID 91207779

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethylbut-3-ene-1,3-diamine?
The IUPAC name of 1-N,1-N-dimethylbut-3-ene-1,3-diamine (CID 143041369) is 1-N,1-N-dimethylbut-3-ene-1,3-diamine.
What is the SMILES notation for 1-N,1-N-dimethylbut-3-ene-1,3-diamine?
The canonical SMILES for 1-N,1-N-dimethylbut-3-ene-1,3-diamine is C=C(N)CCN(C)C.
What is the InChIKey of 1-N,1-N-dimethylbut-3-ene-1,3-diamine?
The InChIKey is HHCTXHVEVZZAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2/c1-6(7)4-5-8(2)3/h1,4-5,7H2,2-3H3.
What are the key properties of 1-N,1-N-dimethylbut-3-ene-1,3-diamine?
1-N,1-N-dimethylbut-3-ene-1,3-diamine has a molecular weight of 114.19 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethylbut-3-ene-1,3-diamine is sourced from PubChem (CID 143041369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).