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

C11H21NO — CID 28674381

IUPACN-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-methoxypropan-1-amine
SMILESCOCCCNC[C@@H]1CC=CCC1
InChIInChI=1S/C11H21NO/c1-13-9-5-8-12-10-11-6-3-2-4-7-11/h2-3,11-12H,4-10H2,1H3/t11-/m1/s1
InChIKeyXZIRJPYZRQMHFD-LLVKDONJSA-N
MW183.29 g/mol
LogP1.97
Rot. Bonds6

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

N-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-methoxypropan-1-amine (PubChem CID 28674381) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-methoxypropan-1-amine
PubChem CID28674381
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-methoxypropan-1-amine
SMILESCOCCCNC[C@@H]1CC=CCC1
InChIInChI=1S/C11H21NO/c1-13-9-5-8-12-10-11-6-3-2-4-7-11/h2-3,11-12H,4-10H2,1H3/t11-/m1/s1
InChIKeyXZIRJPYZRQMHFD-LLVKDONJSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-2-(trifluoromethoxy)ethanamine
CID 65803015
[2-(Cyclohex-3-EN-1-YL)ethyl](methyl)amine
CID 425850
N-(cyclohex-3-en-1-ylmethyl)propan-1-amine
CID 43180483
N-(cyclohex-3-en-1-ylmethyl)butan-1-amine
CID 43180604
N-(cyclohex-3-en-1-ylmethyl)but-3-en-1-amine
CID 57591308
N-butyl-5-methoxy-1,5-dimethylcyclohex-2-en-1-amine
CID 67926724
2-cyclohex-2-en-1-yl-N-ethylethanamine
CID 68339789
N-[(1S,4R)-4-propan-2-ylcyclopent-2-en-1-yl]oxan-4-amine
CID 71069597
3-ethyl-2-(2-methoxyethyl)-N-methylhex-4-en-1-amine
CID 89972892
4-[(1E,3Z)-6-methoxyhexa-1,3-dienyl]azepane
CID 90061164
N-(3-methoxypropyl)cyclohex-2-en-1-amine
CID 107906534

Frequently Asked Questions

What is the IUPAC name of N-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-methoxypropan-1-amine?
The IUPAC name of N-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-methoxypropan-1-amine (CID 28674381) is N-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-methoxypropan-1-amine.
What is the SMILES notation for N-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-methoxypropan-1-amine?
The canonical SMILES for N-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-methoxypropan-1-amine is COCCCNC[C@@H]1CC=CCC1.
What is the InChIKey of N-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-methoxypropan-1-amine?
The InChIKey is XZIRJPYZRQMHFD-LLVKDONJSA-N. The full InChI is InChI=1S/C11H21NO/c1-13-9-5-8-12-10-11-6-3-2-4-7-11/h2-3,11-12H,4-10H2,1H3/t11-/m1/s1.
What are the key properties of N-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-methoxypropan-1-amine?
N-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-methoxypropan-1-amine has a molecular weight of 183.29 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-methoxypropan-1-amine is sourced from PubChem (CID 28674381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).