(3R)-5-cyclohex-2-en-1-yloxy-N,3-dimethylpentan-1-amine

C13H25NO — CID 163429853

IUPAC(3R)-5-cyclohex-2-en-1-yloxy-N,3-dimethylpentan-1-amine
SMILESCNCC[C@@H](C)CCOC1C=CCCC1
InChIInChI=1S/C13H25NO/c1-12(8-10-14-2)9-11-15-13-6-4-3-5-7-13/h4,6,12-14H,3,5,7-11H2,1-2H3/t12-,13?/m1/s1
InChIKeyAPODQAJYGWKBRF-PZORYLMUSA-N
MW211.35 g/mol
LogP2.75
Rot. Bonds7

About (3R)-5-cyclohex-2-en-1-yloxy-N,3-dimethylpentan-1-amine

(3R)-5-cyclohex-2-en-1-yloxy-N,3-dimethylpentan-1-amine (PubChem CID 163429853) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (3R)-5-cyclohex-2-en-1-yloxy-N,3-dimethylpentan-1-amine.

Molecular Properties

Compound Name(3R)-5-cyclohex-2-en-1-yloxy-N,3-dimethylpentan-1-amine
PubChem CID163429853
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(3R)-5-cyclohex-2-en-1-yloxy-N,3-dimethylpentan-1-amine
SMILESCNCC[C@@H](C)CCOC1C=CCCC1
InChIInChI=1S/C13H25NO/c1-12(8-10-14-2)9-11-15-13-6-4-3-5-7-13/h4,6,12-14H,3,5,7-11H2,1-2H3/t12-,13?/m1/s1
InChIKeyAPODQAJYGWKBRF-PZORYLMUSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R)-5-cyclohex-2-en-1-yloxy-N,3-dimethylpentan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-1-(3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanamine
CID 20679330
[(4S)-4-methoxycyclohex-2-en-1-yl]methanamine
CID 89381392
3-methoxy-N,4-dimethylcyclohexen-1-amine
CID 141914602
molecular hydrogen;N-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethyl)propan-1-amine
CID 155702835
ethane;molecular hydrogen;N-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethyl)ethanamine
CID 163239247
N-[2-(5-methoxy-2-methylcyclohex-3-en-1-yl)ethyl]formamide
CID 163549327
2-methyl-N-(7-oxabicyclo[2.2.1]hept-5-en-2-ylmethyl)propan-1-amine
CID 167286429
(4-Methoxycyclohex-2-en-1-yl)methanamine
CID 174928028
4-(4,6-dimethyl-2H-pyran-2-yl)-N-methylbutan-1-amine;molecular hydrogen
CID 177319857
5-[2-(Methylamino)ethyl]cyclohex-2-en-1-ol
CID 15686615
N-methyl-5-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine
CID 62455375
N-ethyl-5-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine
CID 62455376

Frequently Asked Questions

What is the IUPAC name of (3R)-5-cyclohex-2-en-1-yloxy-N,3-dimethylpentan-1-amine?
The IUPAC name of (3R)-5-cyclohex-2-en-1-yloxy-N,3-dimethylpentan-1-amine (CID 163429853) is (3R)-5-cyclohex-2-en-1-yloxy-N,3-dimethylpentan-1-amine.
What is the SMILES notation for (3R)-5-cyclohex-2-en-1-yloxy-N,3-dimethylpentan-1-amine?
The canonical SMILES for (3R)-5-cyclohex-2-en-1-yloxy-N,3-dimethylpentan-1-amine is CNCC[C@@H](C)CCOC1C=CCCC1.
What is the InChIKey of (3R)-5-cyclohex-2-en-1-yloxy-N,3-dimethylpentan-1-amine?
The InChIKey is APODQAJYGWKBRF-PZORYLMUSA-N. The full InChI is InChI=1S/C13H25NO/c1-12(8-10-14-2)9-11-15-13-6-4-3-5-7-13/h4,6,12-14H,3,5,7-11H2,1-2H3/t12-,13?/m1/s1.
What are the key properties of (3R)-5-cyclohex-2-en-1-yloxy-N,3-dimethylpentan-1-amine?
(3R)-5-cyclohex-2-en-1-yloxy-N,3-dimethylpentan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-cyclohex-2-en-1-yloxy-N,3-dimethylpentan-1-amine is sourced from PubChem (CID 163429853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).