[1-[(hexylamino)methyl]cyclopropyl]methanol

C11H23NO — CID 115454400

IUPAC[1-[(hexylamino)methyl]cyclopropyl]methanol
SMILESCCCCCCNCC1(CO)CC1
InChIInChI=1S/C11H23NO/c1-2-3-4-5-8-12-9-11(10-13)6-7-11/h12-13H,2-10H2,1H3
InChIKeyXUWIPNYUOXKGAX-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.93
Rot. Bonds8

About [1-[(hexylamino)methyl]cyclopropyl]methanol

[1-[(hexylamino)methyl]cyclopropyl]methanol (PubChem CID 115454400) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is [1-[(hexylamino)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(hexylamino)methyl]cyclopropyl]methanol
PubChem CID115454400
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name[1-[(hexylamino)methyl]cyclopropyl]methanol
SMILESCCCCCCNCC1(CO)CC1
InChIInChI=1S/C11H23NO/c1-2-3-4-5-8-12-9-11(10-13)6-7-11/h12-13H,2-10H2,1H3
InChIKeyXUWIPNYUOXKGAX-UHFFFAOYSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.93
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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Related Compounds

[1-[(hexylamino)methyl]cyclopentyl]methanol
CID 115358683
[1-(butylaminomethyl)cyclopropyl]methanol
CID 115454363
N-[[1-(chloromethyl)cyclopropyl]methyl]hexan-1-amine
CID 115455602
N-[(1-hexylcyclopropyl)methyl]propan-1-amine
CID 66026661
N-[(1-nonylcyclopropyl)methyl]propan-1-amine
CID 66025330
2-[1-[(pentylamino)methyl]cyclopropyl]acetonitrile
CID 65479944
N-[(1-methylcyclopropyl)methyl]hexan-1-amine
CID 107165769
1-[(dodecylamino)methyl]cyclopentan-1-ol
CID 65108837
1-[(octylamino)methyl]cyclohexan-1-ol
CID 65106974
N-[(3-ethyloxetan-3-yl)methyl]hexan-1-amine
CID 144983565
[1-[(2-fluoroethylamino)methyl]cyclopropyl]methanol
CID 115454656
[1-[(2-methoxyethylamino)methyl]cyclopropyl]methanol
CID 115454729

Frequently Asked Questions

What is the IUPAC name of [1-[(hexylamino)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[(hexylamino)methyl]cyclopropyl]methanol (CID 115454400) is [1-[(hexylamino)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[(hexylamino)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[(hexylamino)methyl]cyclopropyl]methanol is CCCCCCNCC1(CO)CC1.
What is the InChIKey of [1-[(hexylamino)methyl]cyclopropyl]methanol?
The InChIKey is XUWIPNYUOXKGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-2-3-4-5-8-12-9-11(10-13)6-7-11/h12-13H,2-10H2,1H3.
What are the key properties of [1-[(hexylamino)methyl]cyclopropyl]methanol?
[1-[(hexylamino)methyl]cyclopropyl]methanol has a molecular weight of 185.31 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(hexylamino)methyl]cyclopropyl]methanol is sourced from PubChem (CID 115454400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).