N-(cyclohex-3-en-1-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine

C16H27NO2 — CID 79895751

IUPACN-(cyclohex-3-en-1-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine
SMILESC1=CCC(CNC2CCOC3(CCOCC3)C2)CC1
InChIInChI=1S/C16H27NO2/c1-2-4-14(5-3-1)13-17-15-6-9-19-16(12-15)7-10-18-11-8-16/h1-2,14-15,17H,3-13H2
InChIKeyNWOWQRQDVZFHER-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.66
Rot. Bonds3

About N-(cyclohex-3-en-1-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine

N-(cyclohex-3-en-1-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine (PubChem CID 79895751) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine
PubChem CID79895751
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine
SMILESC1=CCC(CNC2CCOC3(CCOCC3)C2)CC1
InChIInChI=1S/C16H27NO2/c1-2-4-14(5-3-1)13-17-15-6-9-19-16(12-15)7-10-18-11-8-16/h1-2,14-15,17H,3-13H2
InChIKeyNWOWQRQDVZFHER-UHFFFAOYSA-N
XLogP2.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohex-3-en-1-ylmethyl)oxetan-3-amine
CID 63624037
N-(oxan-4-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903433
N-[(1,1-dioxothiolan-3-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79895783
N-(cyclohexylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898486
N-(oxolan-3-ylmethyl)-6-oxaspiro[4.5]decan-9-amine
CID 79895641
N-(oxolan-3-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79895785
N-(thian-2-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 80600127
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79900174
N-cyclopropyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897682
4-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]cyclohexan-1-ol
CID 106133298
N-[(4-methylcyclohexyl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 79903426
3-[(6-oxaspiro[4.5]decan-9-ylamino)methyl]cyclopentan-1-ol
CID 106129503

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine (CID 79895751) is N-(cyclohex-3-en-1-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine is C1=CCC(CNC2CCOC3(CCOCC3)C2)CC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine?
The InChIKey is NWOWQRQDVZFHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-2-4-14(5-3-1)13-17-15-6-9-19-16(12-15)7-10-18-11-8-16/h1-2,14-15,17H,3-13H2.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine?
N-(cyclohex-3-en-1-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine has a molecular weight of 265.40 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-1,9-dioxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 79895751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).