4-(5-oxaspiro[3.5]nonan-8-ylidene)cyclohexan-1-amine

C14H23NO — CID 79908527

IUPAC4-(5-oxaspiro[3.5]nonan-8-ylidene)cyclohexan-1-amine
SMILESNC1CCC(=C2CCOC3(CCC3)C2)CC1
InChIInChI=1S/C14H23NO/c15-13-4-2-11(3-5-13)12-6-9-16-14(10-12)7-1-8-14/h13H,1-10,15H2/b12-11-
InChIKeyAYLOIDYYPPFRJD-QXMHVHEDSA-N
MW221.34 g/mol
LogP2.92
Rot. Bonds

About 4-(5-oxaspiro[3.5]nonan-8-ylidene)cyclohexan-1-amine

4-(5-oxaspiro[3.5]nonan-8-ylidene)cyclohexan-1-amine (PubChem CID 79908527) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-(5-oxaspiro[3.5]nonan-8-ylidene)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(5-oxaspiro[3.5]nonan-8-ylidene)cyclohexan-1-amine
PubChem CID79908527
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-(5-oxaspiro[3.5]nonan-8-ylidene)cyclohexan-1-amine
SMILESNC1CCC(=C2CCOC3(CCC3)C2)CC1
InChIInChI=1S/C14H23NO/c15-13-4-2-11(3-5-13)12-6-9-16-14(10-12)7-1-8-14/h13H,1-10,15H2/b12-11-
InChIKeyAYLOIDYYPPFRJD-QXMHVHEDSA-N
XLogP2.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.92
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

3-(6-oxaspiro[4.5]decan-9-ylidene)cyclohexan-1-amine
CID 79909071
1-oxaspiro[4.5]decan-8-amine
CID 67070405
(5R,8S)-1-oxaspiro[4.4]nonan-8-amine
CID 99996100
3-(5-oxaspiro[3.5]nonan-8-yl)cyclohex-2-en-1-amine
CID 79922624
5-oxaspiro[3.4]octan-7-amine;hydrochloride
CID 122156633
spiro[2,5-dihydro-1H-3-benzoxepine-4,1'-cyclohexane]
CID 86182652
[(5S,8R)-1-oxaspiro[4.4]nonan-8-yl]methanamine
CID 99996112
2-(5-oxaspiro[3.5]nonan-8-yl)-3,4-dihydro-1H-naphthalen-2-amine
CID 79908074
(3S)-1-oxaspiro[4.4]nonan-3-amine
CID 42546206
5-oxaspiro[3.5]nonane-2,8-diamine
CID 167736424
(5R,7S)-4,8-dioxadispiro[4.1.47.35]tetradecane
CID 101092010
1-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-ol
CID 79912854

Frequently Asked Questions

What is the IUPAC name of 4-(5-oxaspiro[3.5]nonan-8-ylidene)cyclohexan-1-amine?
The IUPAC name of 4-(5-oxaspiro[3.5]nonan-8-ylidene)cyclohexan-1-amine (CID 79908527) is 4-(5-oxaspiro[3.5]nonan-8-ylidene)cyclohexan-1-amine.
What is the SMILES notation for 4-(5-oxaspiro[3.5]nonan-8-ylidene)cyclohexan-1-amine?
The canonical SMILES for 4-(5-oxaspiro[3.5]nonan-8-ylidene)cyclohexan-1-amine is NC1CCC(=C2CCOC3(CCC3)C2)CC1.
What is the InChIKey of 4-(5-oxaspiro[3.5]nonan-8-ylidene)cyclohexan-1-amine?
The InChIKey is AYLOIDYYPPFRJD-QXMHVHEDSA-N. The full InChI is InChI=1S/C14H23NO/c15-13-4-2-11(3-5-13)12-6-9-16-14(10-12)7-1-8-14/h13H,1-10,15H2/b12-11-.
What are the key properties of 4-(5-oxaspiro[3.5]nonan-8-ylidene)cyclohexan-1-amine?
4-(5-oxaspiro[3.5]nonan-8-ylidene)cyclohexan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 2.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-oxaspiro[3.5]nonan-8-ylidene)cyclohexan-1-amine is sourced from PubChem (CID 79908527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).