(2S)-1-N,1-N,2-N,2-N-tetramethylcyclohex-3-ene-1,2-diamine

C10H20N2 — CID 59116136

IUPAC(2S)-1-N,1-N,2-N,2-N-tetramethylcyclohex-3-ene-1,2-diamine
SMILESCN(C)C1CCC=C[C@@H]1N(C)C
InChIInChI=1S/C10H20N2/c1-11(2)9-7-5-6-8-10(9)12(3)4/h5,7,9-10H,6,8H2,1-4H3/t9-,10?/m0/s1
InChIKeyVBVRASAGYICUAT-RGURZIINSA-N
MW168.28 g/mol
LogP1.20
Rot. Bonds2

About (2S)-1-N,1-N,2-N,2-N-tetramethylcyclohex-3-ene-1,2-diamine

(2S)-1-N,1-N,2-N,2-N-tetramethylcyclohex-3-ene-1,2-diamine (PubChem CID 59116136) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (2S)-1-N,1-N,2-N,2-N-tetramethylcyclohex-3-ene-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N,1-N,2-N,2-N-tetramethylcyclohex-3-ene-1,2-diamine
PubChem CID59116136
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(2S)-1-N,1-N,2-N,2-N-tetramethylcyclohex-3-ene-1,2-diamine
SMILESCN(C)C1CCC=C[C@@H]1N(C)C
InChIInChI=1S/C10H20N2/c1-11(2)9-7-5-6-8-10(9)12(3)4/h5,7,9-10H,6,8H2,1-4H3/t9-,10?/m0/s1
InChIKeyVBVRASAGYICUAT-RGURZIINSA-N
XLogP1.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

n,n-Dimethylcyclohex-2-en-1-amine
CID 258772
n,n-Diethylcyclohex-2-en-1-amine
CID 258777
2-[[6-[Bis(cyanomethyl)amino]cyclohex-3-en-1-yl]-(cyanomethyl)amino]acetonitrile
CID 384589
N,N-dimethylcyclohept-2-en-1-amine
CID 13474809
N-butyl-N-methylcyclohex-2-en-1-amine
CID 101171152
2-[(Z)-prop-1-enyl]-1-propylpiperidine
CID 134901773
2-[(Z)-but-1-enyl]-1-propylpiperidine
CID 134901816
N,N-dihexylcyclohex-2-en-1-amine
CID 258789
1-N,1-N,4-N,4-N-tetra(propan-2-yl)cyclohex-2-ene-1,4-diamine
CID 258790
Cyclohex-2-en-1-yl(trimethyl)azanium
CID 10616533
1-methyl-2-[(Z)-prop-1-enyl]piperidine
CID 12312487
trimethyl-[(E)-oct-2-en-4-yl]azanium bromide
CID 19848239

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N,1-N,2-N,2-N-tetramethylcyclohex-3-ene-1,2-diamine?
The IUPAC name of (2S)-1-N,1-N,2-N,2-N-tetramethylcyclohex-3-ene-1,2-diamine (CID 59116136) is (2S)-1-N,1-N,2-N,2-N-tetramethylcyclohex-3-ene-1,2-diamine.
What is the SMILES notation for (2S)-1-N,1-N,2-N,2-N-tetramethylcyclohex-3-ene-1,2-diamine?
The canonical SMILES for (2S)-1-N,1-N,2-N,2-N-tetramethylcyclohex-3-ene-1,2-diamine is CN(C)C1CCC=C[C@@H]1N(C)C.
What is the InChIKey of (2S)-1-N,1-N,2-N,2-N-tetramethylcyclohex-3-ene-1,2-diamine?
The InChIKey is VBVRASAGYICUAT-RGURZIINSA-N. The full InChI is InChI=1S/C10H20N2/c1-11(2)9-7-5-6-8-10(9)12(3)4/h5,7,9-10H,6,8H2,1-4H3/t9-,10?/m0/s1.
What are the key properties of (2S)-1-N,1-N,2-N,2-N-tetramethylcyclohex-3-ene-1,2-diamine?
(2S)-1-N,1-N,2-N,2-N-tetramethylcyclohex-3-ene-1,2-diamine has a molecular weight of 168.28 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N,1-N,2-N,2-N-tetramethylcyclohex-3-ene-1,2-diamine is sourced from PubChem (CID 59116136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).