2-N,2-N,2-trimethylhept-6-ene-2,3-diamine

C10H22N2 — CID 79053697

IUPAC2-N,2-N,2-trimethylhept-6-ene-2,3-diamine
SMILESC=CCCC(N)C(C)(C)N(C)C
InChIInChI=1S/C10H22N2/c1-6-7-8-9(11)10(2,3)12(4)5/h6,9H,1,7-8,11H2,2-5H3
InChIKeyASIJRYLITRBGAF-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.62
Rot. Bonds5

About 2-N,2-N,2-trimethylhept-6-ene-2,3-diamine

2-N,2-N,2-trimethylhept-6-ene-2,3-diamine (PubChem CID 79053697) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 2-N,2-N,2-trimethylhept-6-ene-2,3-diamine.

Molecular Properties

Compound Name2-N,2-N,2-trimethylhept-6-ene-2,3-diamine
PubChem CID79053697
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name2-N,2-N,2-trimethylhept-6-ene-2,3-diamine
SMILESC=CCCC(N)C(C)(C)N(C)C
InChIInChI=1S/C10H22N2/c1-6-7-8-9(11)10(2,3)12(4)5/h6,9H,1,7-8,11H2,2-5H3
InChIKeyASIJRYLITRBGAF-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
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

2-N,2-N,2-trimethylnonane-2,3-diamine
CID 79053375
(4S)-1,1,1,2,2,3,3-heptafluorooct-7-en-4-amine
CID 171229978
4,5-dimethylnon-8-en-2-amine
CID 123559752
2-(diethylamino)-2-methyloct-7-en-3-ol
CID 79054242
3-ethyl-3-N,3-N,4-N-trimethyloct-7-ene-3,4-diamine
CID 79062164
(1S)-1-(4-tert-butylphenyl)pent-4-en-1-amine
CID 171221408
N,N-dimethylpent-4-en-1-amine;ethane
CID 155570199
(4S)-octa-1,7-dien-4-amine
CID 124537914
(2R)-1-[amino(pent-4-enyl)amino]propan-2-amine
CID 166996482
2,6-dimethyldec-9-en-2-ol
CID 154162071
(4S)-non-8-en-4-amine
CID 10678342
1-(dimethylamino)hex-5-en-1-ol
CID 145136938

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-trimethylhept-6-ene-2,3-diamine?
The IUPAC name of 2-N,2-N,2-trimethylhept-6-ene-2,3-diamine (CID 79053697) is 2-N,2-N,2-trimethylhept-6-ene-2,3-diamine.
What is the SMILES notation for 2-N,2-N,2-trimethylhept-6-ene-2,3-diamine?
The canonical SMILES for 2-N,2-N,2-trimethylhept-6-ene-2,3-diamine is C=CCCC(N)C(C)(C)N(C)C.
What is the InChIKey of 2-N,2-N,2-trimethylhept-6-ene-2,3-diamine?
The InChIKey is ASIJRYLITRBGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-6-7-8-9(11)10(2,3)12(4)5/h6,9H,1,7-8,11H2,2-5H3.
What are the key properties of 2-N,2-N,2-trimethylhept-6-ene-2,3-diamine?
2-N,2-N,2-trimethylhept-6-ene-2,3-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,2-trimethylhept-6-ene-2,3-diamine is sourced from PubChem (CID 79053697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).