1-N,3-dimethylpent-4-ene-1,4-diamine

C7H16N2 — CID 142892579

IUPAC1-N,3-dimethylpent-4-ene-1,4-diamine
SMILESC=C(N)C(C)CCNC
InChIInChI=1S/C7H16N2/c1-6(7(2)8)4-5-9-3/h6,9H,2,4-5,8H2,1,3H3
InChIKeyAABRPUIOLUTBHK-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.70
Rot. Bonds4

About 1-N,3-dimethylpent-4-ene-1,4-diamine

1-N,3-dimethylpent-4-ene-1,4-diamine (PubChem CID 142892579) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 1-N,3-dimethylpent-4-ene-1,4-diamine.

Molecular Properties

Compound Name1-N,3-dimethylpent-4-ene-1,4-diamine
PubChem CID142892579
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name1-N,3-dimethylpent-4-ene-1,4-diamine
SMILESC=C(N)C(C)CCNC
InChIInChI=1S/C7H16N2/c1-6(7(2)8)4-5-9-3/h6,9H,2,4-5,8H2,1,3H3
InChIKeyAABRPUIOLUTBHK-UHFFFAOYSA-N
XLogP0.70
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-methylbut-3-en-1-ol
CID 143544491
4-(methylamino)butan-2-ol;hydrochloride
CID 135392389
2-[4-(methylamino)butan-2-ylamino]acetamide
CID 87765136
6-amino-1-hydroxy-5-methylhept-6-en-2-one
CID 142219270
(5E)-N,3-dimethyl-4-methylidene-6-(pentafluoro-λ6-sulfanyl)octa-5,7-dien-1-amine
CID 145278551
(3R)-3-fluoro-N-methylbutan-1-amine
CID 126693109
N,5-dimethyl-6-methylideneoct-7-en-1-amine
CID 143352180
4-fluoro-1-(methylamino)pentan-3-ol
CID 174427700
ethane;3-fluoro-N-methylbutan-1-amine
CID 144771088
N,N',2-trimethylbutane-1,4-diamine
CID 118562812
N,3-dimethylbut-3-en-1-amine;hydrochloride
CID 155386259
ethane;ethene;3-ethyl-N,4-dimethylpent-4-en-1-amine
CID 171815778

Frequently Asked Questions

What is the IUPAC name of 1-N,3-dimethylpent-4-ene-1,4-diamine?
The IUPAC name of 1-N,3-dimethylpent-4-ene-1,4-diamine (CID 142892579) is 1-N,3-dimethylpent-4-ene-1,4-diamine.
What is the SMILES notation for 1-N,3-dimethylpent-4-ene-1,4-diamine?
The canonical SMILES for 1-N,3-dimethylpent-4-ene-1,4-diamine is C=C(N)C(C)CCNC.
What is the InChIKey of 1-N,3-dimethylpent-4-ene-1,4-diamine?
The InChIKey is AABRPUIOLUTBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-6(7(2)8)4-5-9-3/h6,9H,2,4-5,8H2,1,3H3.
What are the key properties of 1-N,3-dimethylpent-4-ene-1,4-diamine?
1-N,3-dimethylpent-4-ene-1,4-diamine has a molecular weight of 128.22 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-dimethylpent-4-ene-1,4-diamine is sourced from PubChem (CID 142892579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).