[2-[(2-methylidenebutylamino)methyl]cyclopentyl]methanol

C12H23NO — CID 66046903

IUPAC[2-[(2-methylidenebutylamino)methyl]cyclopentyl]methanol
SMILESC=C(CC)CNCC1CCCC1CO
InChIInChI=1S/C12H23NO/c1-3-10(2)7-13-8-11-5-4-6-12(11)9-14/h11-14H,2-9H2,1H3
InChIKeyZRQDBZJDJBMAJV-UHFFFAOYSA-N
MW197.32 g/mol
LogP1.95
Rot. Bonds6

About [2-[(2-methylidenebutylamino)methyl]cyclopentyl]methanol

[2-[(2-methylidenebutylamino)methyl]cyclopentyl]methanol (PubChem CID 66046903) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is [2-[(2-methylidenebutylamino)methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[(2-methylidenebutylamino)methyl]cyclopentyl]methanol
PubChem CID66046903
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name[2-[(2-methylidenebutylamino)methyl]cyclopentyl]methanol
SMILESC=C(CC)CNCC1CCCC1CO
InChIInChI=1S/C12H23NO/c1-3-10(2)7-13-8-11-5-4-6-12(11)9-14/h11-14H,2-9H2,1H3
InChIKeyZRQDBZJDJBMAJV-UHFFFAOYSA-N
XLogP1.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylidenebutylamino)methyl]cyclopentyl]methanol?
The IUPAC name of [2-[(2-methylidenebutylamino)methyl]cyclopentyl]methanol (CID 66046903) is [2-[(2-methylidenebutylamino)methyl]cyclopentyl]methanol.
What is the SMILES notation for [2-[(2-methylidenebutylamino)methyl]cyclopentyl]methanol?
The canonical SMILES for [2-[(2-methylidenebutylamino)methyl]cyclopentyl]methanol is C=C(CC)CNCC1CCCC1CO.
What is the InChIKey of [2-[(2-methylidenebutylamino)methyl]cyclopentyl]methanol?
The InChIKey is ZRQDBZJDJBMAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-10(2)7-13-8-11-5-4-6-12(11)9-14/h11-14H,2-9H2,1H3.
What are the key properties of [2-[(2-methylidenebutylamino)methyl]cyclopentyl]methanol?
[2-[(2-methylidenebutylamino)methyl]cyclopentyl]methanol has a molecular weight of 197.32 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylidenebutylamino)methyl]cyclopentyl]methanol is sourced from PubChem (CID 66046903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).