(2R)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-methoxypropan-2-amine

C11H21NO — CID 28612928

IUPAC(2R)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-methoxypropan-2-amine
SMILESCOC[C@@H](C)NC[C@@H]1CC=CCC1
InChIInChI=1S/C11H21NO/c1-10(9-13-2)12-8-11-6-4-3-5-7-11/h3-4,10-12H,5-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyVGPASPQFCMZSRT-GHMZBOCLSA-N
MW183.29 g/mol
LogP1.97
Rot. Bonds5

About (2R)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-methoxypropan-2-amine

(2R)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-methoxypropan-2-amine (PubChem CID 28612928) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (2R)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound Name(2R)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-methoxypropan-2-amine
PubChem CID28612928
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(2R)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-methoxypropan-2-amine
SMILESCOC[C@@H](C)NC[C@@H]1CC=CCC1
InChIInChI=1S/C11H21NO/c1-10(9-13-2)12-8-11-6-4-3-5-7-11/h3-4,10-12H,5-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyVGPASPQFCMZSRT-GHMZBOCLSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.97
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

[(Cyclohex-3-en-1-yl)methyl](2-methoxyethyl)amine
CID 43180514
N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxyethyl)piperidin-3-amine
CID 75431555
N-(cyclohex-3-en-1-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 60733607
N-(cyclohex-3-en-1-ylmethyl)-2-(trifluoromethoxy)ethanamine
CID 65803015
N-(cyclohex-3-en-1-ylmethyl)-2-(2,2-difluoroethoxy)ethanamine
CID 103081284
2-[(5,6-Diethylcyclohex-3-en-1-yl)amino]ethanol
CID 53678619
(2S,3R)-2-cyclohexa-2,4-dien-1-yl-3-methylmorpholine
CID 68213205
(6R)-N-(2-methoxyethyl)-6-methyl-1,2,3,4,6,7-hexahydronaphthalen-2-amine
CID 70843745
(3R)-2-cyclohexa-2,4-dien-1-yl-3-methylmorpholine
CID 89109782
(1S)-1-cyclohexa-2,4-dien-1-yl-N-(2-methoxyethyl)prop-2-en-1-amine
CID 89290271
1-cyclohexa-2,4-dien-1-yl-3-ethoxy-N-methylbut-3-en-2-amine
CID 91280117
(E)-3-cyclohexyl-N-(2-methoxyethyl)prop-2-en-1-amine
CID 138563747

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-methoxypropan-2-amine?
The IUPAC name of (2R)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-methoxypropan-2-amine (CID 28612928) is (2R)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-methoxypropan-2-amine.
What is the SMILES notation for (2R)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-methoxypropan-2-amine?
The canonical SMILES for (2R)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-methoxypropan-2-amine is COC[C@@H](C)NC[C@@H]1CC=CCC1.
What is the InChIKey of (2R)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-methoxypropan-2-amine?
The InChIKey is VGPASPQFCMZSRT-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(9-13-2)12-8-11-6-4-3-5-7-11/h3-4,10-12H,5-9H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of (2R)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-methoxypropan-2-amine?
(2R)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-methoxypropan-2-amine has a molecular weight of 183.29 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 28612928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).