1-N,1-N,5-trimethylhex-5-ene-1,2-diamine

C9H20N2 — CID 114475319

IUPAC1-N,1-N,5-trimethylhex-5-ene-1,2-diamine
SMILESC=C(C)CCC(N)CN(C)C
InChIInChI=1S/C9H20N2/c1-8(2)5-6-9(10)7-11(3)4/h9H,1,5-7,10H2,2-4H3
InChIKeyOJPPFPRRWUYFLC-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.23
Rot. Bonds5

About 1-N,1-N,5-trimethylhex-5-ene-1,2-diamine

1-N,1-N,5-trimethylhex-5-ene-1,2-diamine (PubChem CID 114475319) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-N,1-N,5-trimethylhex-5-ene-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,5-trimethylhex-5-ene-1,2-diamine
PubChem CID114475319
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name1-N,1-N,5-trimethylhex-5-ene-1,2-diamine
SMILESC=C(C)CCC(N)CN(C)C
InChIInChI=1S/C9H20N2/c1-8(2)5-6-9(10)7-11(3)4/h9H,1,5-7,10H2,2-4H3
InChIKeyOJPPFPRRWUYFLC-UHFFFAOYSA-N
XLogP1.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.23
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

6-methylhept-6-en-3-amine
CID 89243580
2,9-dimethyl-6-methylidenedec-1-en-5-amine
CID 174272112
5-methoxy-1-N,1-N-dimethylpentane-1,2-diamine
CID 81101856
1-N,1-N-dimethyl-4-methylsulfonylbutane-1,2-diamine
CID 79093869
8-methylnon-8-en-4-amine
CID 79185360
5-methyl-1-thiophen-2-ylhex-5-en-2-amine
CID 114474492
2-(3-methylbut-3-enyl)propane-1,3-diol
CID 140988004
2,8-dimethylnon-1-en-5-ylhydrazine
CID 105207539
4,7-dimethyloct-7-en-2-ylphosphane
CID 123656905
2,5-dimethylhex-5-ene-1,1-diol
CID 88503199
1-(3-bicyclo[3.1.0]hexanyl)-4-methylpent-4-en-1-amine
CID 105039579
6-ethyl-2-methyldec-1-en-5-amine
CID 105039210

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,5-trimethylhex-5-ene-1,2-diamine?
The IUPAC name of 1-N,1-N,5-trimethylhex-5-ene-1,2-diamine (CID 114475319) is 1-N,1-N,5-trimethylhex-5-ene-1,2-diamine.
What is the SMILES notation for 1-N,1-N,5-trimethylhex-5-ene-1,2-diamine?
The canonical SMILES for 1-N,1-N,5-trimethylhex-5-ene-1,2-diamine is C=C(C)CCC(N)CN(C)C.
What is the InChIKey of 1-N,1-N,5-trimethylhex-5-ene-1,2-diamine?
The InChIKey is OJPPFPRRWUYFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-8(2)5-6-9(10)7-11(3)4/h9H,1,5-7,10H2,2-4H3.
What are the key properties of 1-N,1-N,5-trimethylhex-5-ene-1,2-diamine?
1-N,1-N,5-trimethylhex-5-ene-1,2-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,5-trimethylhex-5-ene-1,2-diamine is sourced from PubChem (CID 114475319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).