[1-(butylaminomethyl)cyclopropyl]methanol

C9H19NO — CID 115454363

IUPAC[1-(butylaminomethyl)cyclopropyl]methanol
SMILESCCCCNCC1(CO)CC1
InChIInChI=1S/C9H19NO/c1-2-3-6-10-7-9(8-11)4-5-9/h10-11H,2-8H2,1H3
InChIKeyKZIUKVMVOBOKRJ-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.15
Rot. Bonds6

About [1-(butylaminomethyl)cyclopropyl]methanol

[1-(butylaminomethyl)cyclopropyl]methanol (PubChem CID 115454363) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is [1-(butylaminomethyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[1-(butylaminomethyl)cyclopropyl]methanol
PubChem CID115454363
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name[1-(butylaminomethyl)cyclopropyl]methanol
SMILESCCCCNCC1(CO)CC1
InChIInChI=1S/C9H19NO/c1-2-3-6-10-7-9(8-11)4-5-9/h10-11H,2-8H2,1H3
InChIKeyKZIUKVMVOBOKRJ-UHFFFAOYSA-N
XLogP1.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.15
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]cyclopropyl]methanol
CID 115454400
[1-[(hexylamino)methyl]cyclopentyl]methanol
CID 115358683
2-[1-(butylaminomethyl)cyclopentyl]acetic acid
CID 23174791
1-(butylaminomethyl)cyclopropan-1-ol
CID 89141441
[1-[(2-fluoroethylamino)methyl]cyclopropyl]methanol
CID 115454656
[1-[(2-methoxyethylamino)methyl]cyclopropyl]methanol
CID 115454729
2-[1-(propylaminomethyl)cyclopropyl]ethanol
CID 114756075
[1-[(3-ethylsulfonylpropylamino)methyl]cyclohexyl]methanol
CID 103966488
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
[1-[(3-methylsulfanylpropylamino)methyl]cyclohexyl]methanol
CID 81418639

Frequently Asked Questions

What is the IUPAC name of [1-(butylaminomethyl)cyclopropyl]methanol?
The IUPAC name of [1-(butylaminomethyl)cyclopropyl]methanol (CID 115454363) is [1-(butylaminomethyl)cyclopropyl]methanol.
What is the SMILES notation for [1-(butylaminomethyl)cyclopropyl]methanol?
The canonical SMILES for [1-(butylaminomethyl)cyclopropyl]methanol is CCCCNCC1(CO)CC1.
What is the InChIKey of [1-(butylaminomethyl)cyclopropyl]methanol?
The InChIKey is KZIUKVMVOBOKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-2-3-6-10-7-9(8-11)4-5-9/h10-11H,2-8H2,1H3.
What are the key properties of [1-(butylaminomethyl)cyclopropyl]methanol?
[1-(butylaminomethyl)cyclopropyl]methanol has a molecular weight of 157.26 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(butylaminomethyl)cyclopropyl]methanol is sourced from PubChem (CID 115454363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).