(6S,7aR)-N-cyclohexyl-1,3,5,6,7,7a-hexahydrocyclopenta[c]pyran-6-amine

C14H23NO — CID 134958683

IUPAC(6S,7aR)-N-cyclohexyl-1,3,5,6,7,7a-hexahydrocyclopenta[c]pyran-6-amine
SMILESC1=C2C[C@@H](NC3CCCCC3)C[C@H]2COC1
InChIInChI=1S/C14H23NO/c1-2-4-13(5-3-1)15-14-8-11-6-7-16-10-12(11)9-14/h6,12-15H,1-5,7-10H2/t12-,14+/m0/s1
InChIKeyYWOMIASETPMEGK-GXTWGEPZSA-N
MW221.34 g/mol
LogP2.64
Rot. Bonds2

About (6S,7aR)-N-cyclohexyl-1,3,5,6,7,7a-hexahydrocyclopenta[c]pyran-6-amine

(6S,7aR)-N-cyclohexyl-1,3,5,6,7,7a-hexahydrocyclopenta[c]pyran-6-amine (PubChem CID 134958683) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (6S,7aR)-N-cyclohexyl-1,3,5,6,7,7a-hexahydrocyclopenta[c]pyran-6-amine.

Molecular Properties

Compound Name(6S,7aR)-N-cyclohexyl-1,3,5,6,7,7a-hexahydrocyclopenta[c]pyran-6-amine
PubChem CID134958683
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(6S,7aR)-N-cyclohexyl-1,3,5,6,7,7a-hexahydrocyclopenta[c]pyran-6-amine
SMILESC1=C2C[C@@H](NC3CCCCC3)C[C@H]2COC1
InChIInChI=1S/C14H23NO/c1-2-4-13(5-3-1)15-14-8-11-6-7-16-10-12(11)9-14/h6,12-15H,1-5,7-10H2/t12-,14+/m0/s1
InChIKeyYWOMIASETPMEGK-GXTWGEPZSA-N
XLogP2.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6S,7aR)-N-cyclohexyl-1,3,5,6,7,7a-hexahydrocyclopenta[c]pyran-6-amine with MolForge

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Related Compounds

N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4-methylcyclohexan-1-amine
CID 115763771
N-(cyclohex-3-en-1-ylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine
CID 115763776
N-(cyclohexylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine
CID 115763777
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylcyclopentan-1-amine
CID 115763786
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-methylcyclopentan-1-amine
CID 115763791
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-ethylcyclopentan-1-amine
CID 115763804
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-methylcyclohexan-1-amine
CID 115763809
1-cyclopentyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]ethanamine
CID 115895999
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylcyclohexan-1-amine
CID 115896030
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 115896032
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-ethylcyclopentan-1-amine
CID 115896034
N-(cyclopentylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine
CID 115908689

Frequently Asked Questions

What is the IUPAC name of (6S,7aR)-N-cyclohexyl-1,3,5,6,7,7a-hexahydrocyclopenta[c]pyran-6-amine?
The IUPAC name of (6S,7aR)-N-cyclohexyl-1,3,5,6,7,7a-hexahydrocyclopenta[c]pyran-6-amine (CID 134958683) is (6S,7aR)-N-cyclohexyl-1,3,5,6,7,7a-hexahydrocyclopenta[c]pyran-6-amine.
What is the SMILES notation for (6S,7aR)-N-cyclohexyl-1,3,5,6,7,7a-hexahydrocyclopenta[c]pyran-6-amine?
The canonical SMILES for (6S,7aR)-N-cyclohexyl-1,3,5,6,7,7a-hexahydrocyclopenta[c]pyran-6-amine is C1=C2C[C@@H](NC3CCCCC3)C[C@H]2COC1.
What is the InChIKey of (6S,7aR)-N-cyclohexyl-1,3,5,6,7,7a-hexahydrocyclopenta[c]pyran-6-amine?
The InChIKey is YWOMIASETPMEGK-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-4-13(5-3-1)15-14-8-11-6-7-16-10-12(11)9-14/h6,12-15H,1-5,7-10H2/t12-,14+/m0/s1.
What are the key properties of (6S,7aR)-N-cyclohexyl-1,3,5,6,7,7a-hexahydrocyclopenta[c]pyran-6-amine?
(6S,7aR)-N-cyclohexyl-1,3,5,6,7,7a-hexahydrocyclopenta[c]pyran-6-amine has a molecular weight of 221.34 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7aR)-N-cyclohexyl-1,3,5,6,7,7a-hexahydrocyclopenta[c]pyran-6-amine is sourced from PubChem (CID 134958683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).