1-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]cycloheptan-1-ol

C16H29NO3 — CID 60970973

IUPAC1-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]cycloheptan-1-ol
SMILESOC1(CNC2CCC3(CC2)OCCO3)CCCCCC1
InChIInChI=1S/C16H29NO3/c18-15(7-3-1-2-4-8-15)13-17-14-5-9-16(10-6-14)19-11-12-20-16/h14,17-18H,1-13H2
InChIKeyDDCYEQBDENYEGU-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.35
Rot. Bonds3

About 1-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]cycloheptan-1-ol

1-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]cycloheptan-1-ol (PubChem CID 60970973) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 1-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]cycloheptan-1-ol
PubChem CID60970973
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name1-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]cycloheptan-1-ol
SMILESOC1(CNC2CCC3(CC2)OCCO3)CCCCCC1
InChIInChI=1S/C16H29NO3/c18-15(7-3-1-2-4-8-15)13-17-14-5-9-16(10-6-14)19-11-12-20-16/h14,17-18H,1-13H2
InChIKeyDDCYEQBDENYEGU-UHFFFAOYSA-N
XLogP2.35
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]oxan-4-ol
CID 81131365
1-[(oxan-4-ylamino)methyl]cyclohexan-1-ol
CID 60908974
1-[(cyclobutylamino)methyl]cycloheptan-1-ol
CID 62416530
1-[(cycloheptylamino)methyl]cycloheptan-1-ol
CID 60710664
1-[(spiro[4.5]decan-8-ylamino)methyl]cyclohexan-1-ol
CID 114817713
1-[(spiro[4.5]decan-8-ylamino)methyl]cyclopentan-1-ol
CID 114817712
1-[[(4-hydroxycyclohexyl)amino]methyl]cyclohexan-1-ol
CID 103625161
4-[(1-hydroxycyclopentyl)methylamino]cyclohexan-1-ol
CID 103881245
1-[(oxetan-3-ylamino)methyl]cyclohexan-1-ol
CID 65108688
1-[[(1,1-dioxothian-4-yl)amino]methyl]cyclohexan-1-ol
CID 54937546
1-[[(1-methylpiperidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 60910236
1-[[(2,2-dimethyloxan-4-yl)amino]methyl]cyclopentan-1-ol
CID 65105371

Frequently Asked Questions

What is the IUPAC name of 1-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]cycloheptan-1-ol (CID 60970973) is 1-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]cycloheptan-1-ol is OC1(CNC2CCC3(CC2)OCCO3)CCCCCC1.
What is the InChIKey of 1-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]cycloheptan-1-ol?
The InChIKey is DDCYEQBDENYEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c18-15(7-3-1-2-4-8-15)13-17-14-5-9-16(10-6-14)19-11-12-20-16/h14,17-18H,1-13H2.
What are the key properties of 1-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]cycloheptan-1-ol?
1-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]cycloheptan-1-ol has a molecular weight of 283.41 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]cycloheptan-1-ol is sourced from PubChem (CID 60970973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).