N-cyclohex-3-en-1-ylspiro[4.5]decan-8-amine

C16H27N — CID 114817734

IUPACN-cyclohex-3-en-1-ylspiro[4.5]decan-8-amine
SMILESC1=CCC(NC2CCC3(CCCC3)CC2)CC1
InChIInChI=1S/C16H27N/c1-2-6-14(7-3-1)17-15-8-12-16(13-9-15)10-4-5-11-16/h1-2,14-15,17H,3-13H2
InChIKeyMYTGSFXVSWPSIG-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.19
Rot. Bonds2

About N-cyclohex-3-en-1-ylspiro[4.5]decan-8-amine

N-cyclohex-3-en-1-ylspiro[4.5]decan-8-amine (PubChem CID 114817734) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-cyclohex-3-en-1-ylspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-cyclohex-3-en-1-ylspiro[4.5]decan-8-amine
PubChem CID114817734
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-cyclohex-3-en-1-ylspiro[4.5]decan-8-amine
SMILESC1=CCC(NC2CCC3(CCCC3)CC2)CC1
InChIInChI=1S/C16H27N/c1-2-6-14(7-3-1)17-15-8-12-16(13-9-15)10-4-5-11-16/h1-2,14-15,17H,3-13H2
InChIKeyMYTGSFXVSWPSIG-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohex-3-en-1-yl-1,4-dioxepan-6-amine
CID 130559516
N-(3-methylcyclopentyl)spiro[4.5]decan-8-amine
CID 114817955
N-methylcyclohex-3-en-1-amine
CID 12702515
N-(3-methoxycyclobutyl)spiro[4.5]decan-8-amine
CID 114118865
N-spiro[4.5]decan-8-ylthian-3-amine
CID 114817932
1-tert-butyl-N-spiro[4.5]decan-8-ylpiperidin-4-amine
CID 114817492
cyclohex-3-en-1-ylhydrazine
CID 101115759
1-cyclohex-3-en-1-yl-3-cyclopentylurea
CID 115640218
3-(spiro[4.5]decan-8-ylamino)propan-1-ol
CID 114817188
spiro[4.7]dodec-9-ene
CID 173457967
N-cyclopent-3-en-1-yl-3,3-dimethylcyclopentan-1-amine
CID 104531307
N-(2-fluoroethyl)spiro[4.5]decan-8-amine
CID 130503762

Frequently Asked Questions

What is the IUPAC name of N-cyclohex-3-en-1-ylspiro[4.5]decan-8-amine?
The IUPAC name of N-cyclohex-3-en-1-ylspiro[4.5]decan-8-amine (CID 114817734) is N-cyclohex-3-en-1-ylspiro[4.5]decan-8-amine.
What is the SMILES notation for N-cyclohex-3-en-1-ylspiro[4.5]decan-8-amine?
The canonical SMILES for N-cyclohex-3-en-1-ylspiro[4.5]decan-8-amine is C1=CCC(NC2CCC3(CCCC3)CC2)CC1.
What is the InChIKey of N-cyclohex-3-en-1-ylspiro[4.5]decan-8-amine?
The InChIKey is MYTGSFXVSWPSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-2-6-14(7-3-1)17-15-8-12-16(13-9-15)10-4-5-11-16/h1-2,14-15,17H,3-13H2.
What are the key properties of N-cyclohex-3-en-1-ylspiro[4.5]decan-8-amine?
N-cyclohex-3-en-1-ylspiro[4.5]decan-8-amine has a molecular weight of 233.40 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-3-en-1-ylspiro[4.5]decan-8-amine is sourced from PubChem (CID 114817734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).