1-[(spiro[4.5]decan-8-ylamino)methyl]cyclopentan-1-ol

C16H29NO — CID 114817712

IUPAC1-[(spiro[4.5]decan-8-ylamino)methyl]cyclopentan-1-ol
SMILESOC1(CNC2CCC3(CCCC3)CC2)CCCC1
InChIInChI=1S/C16H29NO/c18-16(9-3-4-10-16)13-17-14-5-11-15(12-6-14)7-1-2-8-15/h14,17-18H,1-13H2
InChIKeyYWEXTEVRVYTYQO-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.38
Rot. Bonds3

About 1-[(spiro[4.5]decan-8-ylamino)methyl]cyclopentan-1-ol

1-[(spiro[4.5]decan-8-ylamino)methyl]cyclopentan-1-ol (PubChem CID 114817712) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 1-[(spiro[4.5]decan-8-ylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(spiro[4.5]decan-8-ylamino)methyl]cyclopentan-1-ol
PubChem CID114817712
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name1-[(spiro[4.5]decan-8-ylamino)methyl]cyclopentan-1-ol
SMILESOC1(CNC2CCC3(CCCC3)CC2)CCCC1
InChIInChI=1S/C16H29NO/c18-16(9-3-4-10-16)13-17-14-5-11-15(12-6-14)7-1-2-8-15/h14,17-18H,1-13H2
InChIKeyYWEXTEVRVYTYQO-UHFFFAOYSA-N
XLogP3.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(spiro[4.5]decan-8-ylamino)methyl]cyclohexan-1-ol
CID 114817713
1-[(cyclobutylamino)methyl]cycloheptan-1-ol
CID 62416530
1-[(cycloheptylamino)methyl]cycloheptan-1-ol
CID 60710664
4-[(1-hydroxycyclopentyl)methylamino]cyclohexan-1-ol
CID 103881245
1-[[(4-hydroxycyclohexyl)amino]methyl]cyclohexan-1-ol
CID 103625161
1-[(oxan-4-ylamino)methyl]cyclohexan-1-ol
CID 60908974
1-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]cycloheptan-1-ol
CID 60970973
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-[(oxetan-3-ylamino)methyl]cyclohexan-1-ol
CID 65108688
1-[(cyclopropylamino)methyl]-4-methylcycloheptan-1-ol
CID 65082633
1-[[(4-ethylcycloheptyl)amino]methyl]cyclohexan-1-ol
CID 65106934

Frequently Asked Questions

What is the IUPAC name of 1-[(spiro[4.5]decan-8-ylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(spiro[4.5]decan-8-ylamino)methyl]cyclopentan-1-ol (CID 114817712) is 1-[(spiro[4.5]decan-8-ylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(spiro[4.5]decan-8-ylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(spiro[4.5]decan-8-ylamino)methyl]cyclopentan-1-ol is OC1(CNC2CCC3(CCCC3)CC2)CCCC1.
What is the InChIKey of 1-[(spiro[4.5]decan-8-ylamino)methyl]cyclopentan-1-ol?
The InChIKey is YWEXTEVRVYTYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c18-16(9-3-4-10-16)13-17-14-5-11-15(12-6-14)7-1-2-8-15/h14,17-18H,1-13H2.
What are the key properties of 1-[(spiro[4.5]decan-8-ylamino)methyl]cyclopentan-1-ol?
1-[(spiro[4.5]decan-8-ylamino)methyl]cyclopentan-1-ol has a molecular weight of 251.41 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(spiro[4.5]decan-8-ylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 114817712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).