N-[4-(3-methoxypropoxy)pentyl]cyclopropanamine

C12H25NO2 — CID 62440729

IUPACN-[4-(3-methoxypropoxy)pentyl]cyclopropanamine
SMILESCOCCCOC(C)CCCNC1CC1
InChIInChI=1S/C12H25NO2/c1-11(15-10-4-9-14-2)5-3-8-13-12-6-7-12/h11-13H,3-10H2,1-2H3
InChIKeyDWHMBWFOTTXJPO-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.96
Rot. Bonds10

About N-[4-(3-methoxypropoxy)pentyl]cyclopropanamine

N-[4-(3-methoxypropoxy)pentyl]cyclopropanamine (PubChem CID 62440729) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-[4-(3-methoxypropoxy)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(3-methoxypropoxy)pentyl]cyclopropanamine
PubChem CID62440729
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-[4-(3-methoxypropoxy)pentyl]cyclopropanamine
SMILESCOCCCOC(C)CCCNC1CC1
InChIInChI=1S/C12H25NO2/c1-11(15-10-4-9-14-2)5-3-8-13-12-6-7-12/h11-13H,3-10H2,1-2H3
InChIKeyDWHMBWFOTTXJPO-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hexoxypentyl)cyclopropanamine
CID 62455519
1-N-cyclopropyl-4-N,4-N-bis(2-methoxyethyl)pentane-1,4-diamine
CID 62462661
N-(5-methoxypentyl)-4-propan-2-ylcyclohexan-1-amine
CID 103698848
N,N'-dicyclopropyl-4-methylheptane-1,7-diamine
CID 66322125
N-(6-methoxy-3,4-dimethylhexyl)cyclopropanamine
CID 116500457
N-ethyl-4-[3-(2-methoxyethoxy)propoxy]pentan-1-amine
CID 103406214
N-[4-(2-pyridin-2-ylethoxy)pentyl]cyclopropanamine
CID 62455196
N-(3-methoxypropyl)-1-propan-2-ylpiperidin-4-amine
CID 28673243
N-[4-(oxolan-3-ylmethoxy)pentyl]cyclopropanamine
CID 62486502
1-N-cyclopropyl-4-N-(2-methoxyethyl)-4-N-pentan-3-ylpentane-1,4-diamine
CID 62449357
N-(5-methoxypentyl)thian-4-amine
CID 103631860
4-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine
CID 2846375

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxypropoxy)pentyl]cyclopropanamine?
The IUPAC name of N-[4-(3-methoxypropoxy)pentyl]cyclopropanamine (CID 62440729) is N-[4-(3-methoxypropoxy)pentyl]cyclopropanamine.
What is the SMILES notation for N-[4-(3-methoxypropoxy)pentyl]cyclopropanamine?
The canonical SMILES for N-[4-(3-methoxypropoxy)pentyl]cyclopropanamine is COCCCOC(C)CCCNC1CC1.
What is the InChIKey of N-[4-(3-methoxypropoxy)pentyl]cyclopropanamine?
The InChIKey is DWHMBWFOTTXJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-11(15-10-4-9-14-2)5-3-8-13-12-6-7-12/h11-13H,3-10H2,1-2H3.
What are the key properties of N-[4-(3-methoxypropoxy)pentyl]cyclopropanamine?
N-[4-(3-methoxypropoxy)pentyl]cyclopropanamine has a molecular weight of 215.34 g/mol, XLogP of 1.96, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxypropoxy)pentyl]cyclopropanamine is sourced from PubChem (CID 62440729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).