2-[1-(propylaminomethyl)cyclopropyl]ethanol

C9H19NO — CID 114756075

IUPAC2-[1-(propylaminomethyl)cyclopropyl]ethanol
SMILESCCCNCC1(CCO)CC1
InChIInChI=1S/C9H19NO/c1-2-6-10-8-9(3-4-9)5-7-11/h10-11H,2-8H2,1H3
InChIKeyOBWCPITWJZFCRW-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.15
Rot. Bonds6

About 2-[1-(propylaminomethyl)cyclopropyl]ethanol

2-[1-(propylaminomethyl)cyclopropyl]ethanol (PubChem CID 114756075) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-[1-(propylaminomethyl)cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-(propylaminomethyl)cyclopropyl]ethanol
PubChem CID114756075
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-[1-(propylaminomethyl)cyclopropyl]ethanol
SMILESCCCNCC1(CCO)CC1
InChIInChI=1S/C9H19NO/c1-2-6-10-8-9(3-4-9)5-7-11/h10-11H,2-8H2,1H3
InChIKeyOBWCPITWJZFCRW-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

N-[[1-(2-chloroethyl)cyclopropyl]methyl]propan-1-amine
CID 114757564
N-[(1-nonylcyclopropyl)methyl]propan-1-amine
CID 66025330
N-[(1-hexylcyclopropyl)methyl]propan-1-amine
CID 66026661
2-[1-[[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]methyl]cyclopropyl]ethanol
CID 114756460
1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-propylurea
CID 114749715
4-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]butanoic acid
CID 114756436
2-[1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclopropyl]ethanol
CID 103179565
[1-(butylaminomethyl)cyclopropyl]methanol
CID 115454363
N-[[1-(trimethylsilylmethyl)cyclopropyl]methyl]propan-1-amine
CID 106323691
N-[[1-(2-methylsulfonylethyl)cyclopropyl]methyl]propan-1-amine
CID 66024011
N-[[1-(3-methoxypropyl)cyclopropyl]methyl]propan-1-amine
CID 66025997
2-[1-[(2-methylidenebutylamino)methyl]cyclopropyl]ethanol
CID 114756336

Frequently Asked Questions

What is the IUPAC name of 2-[1-(propylaminomethyl)cyclopropyl]ethanol?
The IUPAC name of 2-[1-(propylaminomethyl)cyclopropyl]ethanol (CID 114756075) is 2-[1-(propylaminomethyl)cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-(propylaminomethyl)cyclopropyl]ethanol?
The canonical SMILES for 2-[1-(propylaminomethyl)cyclopropyl]ethanol is CCCNCC1(CCO)CC1.
What is the InChIKey of 2-[1-(propylaminomethyl)cyclopropyl]ethanol?
The InChIKey is OBWCPITWJZFCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-2-6-10-8-9(3-4-9)5-7-11/h10-11H,2-8H2,1H3.
What are the key properties of 2-[1-(propylaminomethyl)cyclopropyl]ethanol?
2-[1-(propylaminomethyl)cyclopropyl]ethanol 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 2-[1-(propylaminomethyl)cyclopropyl]ethanol is sourced from PubChem (CID 114756075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).