[1-(4-methoxybutyl)cyclopropyl]methanamine

C9H19NO — CID 104649416

IUPAC[1-(4-methoxybutyl)cyclopropyl]methanamine
SMILESCOCCCCC1(CN)CC1
InChIInChI=1S/C9H19NO/c1-11-7-3-2-4-9(8-10)5-6-9/h2-8,10H2,1H3
InChIKeyMQXDTLCSJHZGPR-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.54
Rot. Bonds6

About [1-(4-methoxybutyl)cyclopropyl]methanamine

[1-(4-methoxybutyl)cyclopropyl]methanamine (PubChem CID 104649416) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is [1-(4-methoxybutyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(4-methoxybutyl)cyclopropyl]methanamine
PubChem CID104649416
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name[1-(4-methoxybutyl)cyclopropyl]methanamine
SMILESCOCCCCC1(CN)CC1
InChIInChI=1S/C9H19NO/c1-11-7-3-2-4-9(8-10)5-6-9/h2-8,10H2,1H3
InChIKeyMQXDTLCSJHZGPR-UHFFFAOYSA-N
XLogP1.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-(Cyclopropylmethyl)oxan-4-yl)methanamine
CID 82412650
[1-(2-Methoxyethyl)cyclopentyl]methanamine
CID 62723492
[1-(2-Ethoxyethyl)cyclopentyl]methanamine
CID 62724287
2-Cyclopropyl-2-fluoro-5-methoxy-3-methylpentan-1-amine
CID 116500631
[1-(Methoxymethyl)cyclohexyl]methanamine
CID 17951250
2-Ethyl-2-(methoxymethyl)hexan-1-amine
CID 103984446
2-(Methoxymethyl)-2-propylpentan-1-amine
CID 139652158
2-Cyclopropyl-2-(methoxymethyl)pentan-1-amine
CID 139927531
2-Butyl-2-(methoxymethyl)octan-1-amine
CID 139927583
2-Butyl-2-(methoxymethyl)heptan-1-amine
CID 139927584
2-Ethyl-2-(methoxymethyl)octan-1-amine
CID 139927592
2-(Methoxymethyl)-2-propyloctan-1-amine
CID 139927594

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxybutyl)cyclopropyl]methanamine?
The IUPAC name of [1-(4-methoxybutyl)cyclopropyl]methanamine (CID 104649416) is [1-(4-methoxybutyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(4-methoxybutyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(4-methoxybutyl)cyclopropyl]methanamine is COCCCCC1(CN)CC1.
What is the InChIKey of [1-(4-methoxybutyl)cyclopropyl]methanamine?
The InChIKey is MQXDTLCSJHZGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-11-7-3-2-4-9(8-10)5-6-9/h2-8,10H2,1H3.
What are the key properties of [1-(4-methoxybutyl)cyclopropyl]methanamine?
[1-(4-methoxybutyl)cyclopropyl]methanamine has a molecular weight of 157.26 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxybutyl)cyclopropyl]methanamine is sourced from PubChem (CID 104649416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).