[1-[(N-butylanilino)methyl]cyclopentyl]methanol

C17H27NO — CID 64585631

IUPAC[1-[(N-butylanilino)methyl]cyclopentyl]methanol
SMILESCCCCN(CC1(CO)CCCC1)c1ccccc1
InChIInChI=1S/C17H27NO/c1-2-3-13-18(16-9-5-4-6-10-16)14-17(15-19)11-7-8-12-17/h4-6,9-10,19H,2-3,7-8,11-15H2,1H3
InChIKeySYYDSOYJGXLXHX-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.85
Rot. Bonds7

About [1-[(N-butylanilino)methyl]cyclopentyl]methanol

[1-[(N-butylanilino)methyl]cyclopentyl]methanol (PubChem CID 64585631) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is [1-[(N-butylanilino)methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[(N-butylanilino)methyl]cyclopentyl]methanol
PubChem CID64585631
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name[1-[(N-butylanilino)methyl]cyclopentyl]methanol
SMILESCCCCN(CC1(CO)CCCC1)c1ccccc1
InChIInChI=1S/C17H27NO/c1-2-3-13-18(16-9-5-4-6-10-16)14-17(15-19)11-7-8-12-17/h4-6,9-10,19H,2-3,7-8,11-15H2,1H3
InChIKeySYYDSOYJGXLXHX-UHFFFAOYSA-N
XLogP3.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(N-butylanilino)methyl]cyclopentyl]methanol?
The IUPAC name of [1-[(N-butylanilino)methyl]cyclopentyl]methanol (CID 64585631) is [1-[(N-butylanilino)methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[(N-butylanilino)methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[(N-butylanilino)methyl]cyclopentyl]methanol is CCCCN(CC1(CO)CCCC1)c1ccccc1.
What is the InChIKey of [1-[(N-butylanilino)methyl]cyclopentyl]methanol?
The InChIKey is SYYDSOYJGXLXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-2-3-13-18(16-9-5-4-6-10-16)14-17(15-19)11-7-8-12-17/h4-6,9-10,19H,2-3,7-8,11-15H2,1H3.
What are the key properties of [1-[(N-butylanilino)methyl]cyclopentyl]methanol?
[1-[(N-butylanilino)methyl]cyclopentyl]methanol has a molecular weight of 261.41 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(N-butylanilino)methyl]cyclopentyl]methanol is sourced from PubChem (CID 64585631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).