[1-[(3-methyloctan-3-ylamino)methyl]cyclopentyl]methanol

C16H33NO — CID 154955357

IUPAC[1-[(3-methyloctan-3-ylamino)methyl]cyclopentyl]methanol
SMILESCCCCCC(C)(CC)NCC1(CO)CCCC1
InChIInChI=1S/C16H33NO/c1-4-6-7-10-15(3,5-2)17-13-16(14-18)11-8-9-12-16/h17-18H,4-14H2,1-3H3
InChIKeyVNOCOKJOPUDLLK-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.88
Rot. Bonds9

About [1-[(3-methyloctan-3-ylamino)methyl]cyclopentyl]methanol

[1-[(3-methyloctan-3-ylamino)methyl]cyclopentyl]methanol (PubChem CID 154955357) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is [1-[(3-methyloctan-3-ylamino)methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[(3-methyloctan-3-ylamino)methyl]cyclopentyl]methanol
PubChem CID154955357
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name[1-[(3-methyloctan-3-ylamino)methyl]cyclopentyl]methanol
SMILESCCCCCC(C)(CC)NCC1(CO)CCCC1
InChIInChI=1S/C16H33NO/c1-4-6-7-10-15(3,5-2)17-13-16(14-18)11-8-9-12-16/h17-18H,4-14H2,1-3H3
InChIKeyVNOCOKJOPUDLLK-UHFFFAOYSA-N
XLogP3.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-methyloctan-3-ylamino)methyl]cyclopentyl]methanol?
The IUPAC name of [1-[(3-methyloctan-3-ylamino)methyl]cyclopentyl]methanol (CID 154955357) is [1-[(3-methyloctan-3-ylamino)methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[(3-methyloctan-3-ylamino)methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[(3-methyloctan-3-ylamino)methyl]cyclopentyl]methanol is CCCCCC(C)(CC)NCC1(CO)CCCC1.
What is the InChIKey of [1-[(3-methyloctan-3-ylamino)methyl]cyclopentyl]methanol?
The InChIKey is VNOCOKJOPUDLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-4-6-7-10-15(3,5-2)17-13-16(14-18)11-8-9-12-16/h17-18H,4-14H2,1-3H3.
What are the key properties of [1-[(3-methyloctan-3-ylamino)methyl]cyclopentyl]methanol?
[1-[(3-methyloctan-3-ylamino)methyl]cyclopentyl]methanol has a molecular weight of 255.45 g/mol, XLogP of 3.88, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-methyloctan-3-ylamino)methyl]cyclopentyl]methanol is sourced from PubChem (CID 154955357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).