dimethyl-[(1S,2S)-2-(prop-1-en-2-ylamino)cyclohexyl]azanium

C11H23N2+ — CID 135019680

IUPACdimethyl-[(1S,2S)-2-(prop-1-en-2-ylamino)cyclohexyl]azanium
SMILESC=C(C)N[C@H]1CCCC[C@@H]1[NH+](C)C
InChIInChI=1S/C11H22N2/c1-9(2)12-10-7-5-6-8-11(10)13(3)4/h10-12H,1,5-8H2,2-4H3/p+1/t10-,11-/m0/s1
InChIKeyDYCCMAVNCIZUGA-QWRGUYRKSA-O
MW183.32 g/mol
LogP0.57
Rot. Bonds3

About dimethyl-[(1S,2S)-2-(prop-1-en-2-ylamino)cyclohexyl]azanium

dimethyl-[(1S,2S)-2-(prop-1-en-2-ylamino)cyclohexyl]azanium (PubChem CID 135019680) has the molecular formula C11H23N2+ and a molecular weight of 183.32 g/mol. Its IUPAC name is dimethyl-[(1S,2S)-2-(prop-1-en-2-ylamino)cyclohexyl]azanium.

Molecular Properties

Compound Namedimethyl-[(1S,2S)-2-(prop-1-en-2-ylamino)cyclohexyl]azanium
PubChem CID135019680
Molecular FormulaC11H23N2+
Molecular Weight183.32 g/mol
Exact Mass183.19
IUPAC Namedimethyl-[(1S,2S)-2-(prop-1-en-2-ylamino)cyclohexyl]azanium
SMILESC=C(C)N[C@H]1CCCC[C@@H]1[NH+](C)C
InChIInChI=1S/C11H22N2/c1-9(2)12-10-7-5-6-8-11(10)13(3)4/h10-12H,1,5-8H2,2-4H3/p+1/t10-,11-/m0/s1
InChIKeyDYCCMAVNCIZUGA-QWRGUYRKSA-O
XLogP0.57
TPSA16.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[(1S,2S)-2-(prop-1-en-2-ylamino)cyclohexyl]azanium?
The IUPAC name of dimethyl-[(1S,2S)-2-(prop-1-en-2-ylamino)cyclohexyl]azanium (CID 135019680) is dimethyl-[(1S,2S)-2-(prop-1-en-2-ylamino)cyclohexyl]azanium.
What is the SMILES notation for dimethyl-[(1S,2S)-2-(prop-1-en-2-ylamino)cyclohexyl]azanium?
The canonical SMILES for dimethyl-[(1S,2S)-2-(prop-1-en-2-ylamino)cyclohexyl]azanium is C=C(C)N[C@H]1CCCC[C@@H]1[NH+](C)C.
What is the InChIKey of dimethyl-[(1S,2S)-2-(prop-1-en-2-ylamino)cyclohexyl]azanium?
The InChIKey is DYCCMAVNCIZUGA-QWRGUYRKSA-O. The full InChI is InChI=1S/C11H22N2/c1-9(2)12-10-7-5-6-8-11(10)13(3)4/h10-12H,1,5-8H2,2-4H3/p+1/t10-,11-/m0/s1.
What are the key properties of dimethyl-[(1S,2S)-2-(prop-1-en-2-ylamino)cyclohexyl]azanium?
dimethyl-[(1S,2S)-2-(prop-1-en-2-ylamino)cyclohexyl]azanium has a molecular weight of 183.32 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(1S,2S)-2-(prop-1-en-2-ylamino)cyclohexyl]azanium is sourced from PubChem (CID 135019680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).