N-[6-(3-methoxypyrrolidin-1-yl)hexyl]cyclopropanamine

C14H28N2O — CID 103539769

IUPACN-[6-(3-methoxypyrrolidin-1-yl)hexyl]cyclopropanamine
SMILESCOC1CCN(CCCCCCNC2CC2)C1
InChIInChI=1S/C14H28N2O/c1-17-14-8-11-16(12-14)10-5-3-2-4-9-15-13-6-7-13/h13-15H,2-12H2,1H3
InChIKeyRHCCHOZNHHTZQP-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.02
Rot. Bonds9

About N-[6-(3-methoxypyrrolidin-1-yl)hexyl]cyclopropanamine

N-[6-(3-methoxypyrrolidin-1-yl)hexyl]cyclopropanamine (PubChem CID 103539769) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[6-(3-methoxypyrrolidin-1-yl)hexyl]cyclopropanamine.

Molecular Properties

Compound NameN-[6-(3-methoxypyrrolidin-1-yl)hexyl]cyclopropanamine
PubChem CID103539769
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[6-(3-methoxypyrrolidin-1-yl)hexyl]cyclopropanamine
SMILESCOC1CCN(CCCCCCNC2CC2)C1
InChIInChI=1S/C14H28N2O/c1-17-14-8-11-16(12-14)10-5-3-2-4-9-15-13-6-7-13/h13-15H,2-12H2,1H3
InChIKeyRHCCHOZNHHTZQP-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.02
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-(4-methoxypiperidin-1-yl)butyl]cyclopropanamine
CID 62422445
4-(3-methoxypyrrolidin-1-yl)butan-1-amine
CID 69155262
6-(3-methoxypyrrolidin-1-yl)hexane-1-thiol
CID 103541634
methyl 4-(3-methoxypyrrolidin-1-yl)butanoate
CID 103535204
N-[5-(3,4-dimethylpyrrolidin-1-yl)pentyl]cyclopropanamine
CID 79184231
6-(3-methoxypyrrolidin-1-yl)hexan-2-amine
CID 103532346
4-(3-methoxypyrrolidin-1-yl)butanoic acid
CID 103535134
N-[5-(azocan-1-yl)pentyl]cyclopropanamine
CID 55070436
6-(3-methoxypiperidin-1-yl)-N-(2-methylpropyl)hexan-1-amine
CID 102968223
N-[4-(4-ethylpiperidin-1-yl)butyl]cyclopropanamine
CID 62412900
N-ethyl-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103532306
2-(cyclopropylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanoic acid
CID 103537944

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-methoxypyrrolidin-1-yl)hexyl]cyclopropanamine?
The IUPAC name of N-[6-(3-methoxypyrrolidin-1-yl)hexyl]cyclopropanamine (CID 103539769) is N-[6-(3-methoxypyrrolidin-1-yl)hexyl]cyclopropanamine.
What is the SMILES notation for N-[6-(3-methoxypyrrolidin-1-yl)hexyl]cyclopropanamine?
The canonical SMILES for N-[6-(3-methoxypyrrolidin-1-yl)hexyl]cyclopropanamine is COC1CCN(CCCCCCNC2CC2)C1.
What is the InChIKey of N-[6-(3-methoxypyrrolidin-1-yl)hexyl]cyclopropanamine?
The InChIKey is RHCCHOZNHHTZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-17-14-8-11-16(12-14)10-5-3-2-4-9-15-13-6-7-13/h13-15H,2-12H2,1H3.
What are the key properties of N-[6-(3-methoxypyrrolidin-1-yl)hexyl]cyclopropanamine?
N-[6-(3-methoxypyrrolidin-1-yl)hexyl]cyclopropanamine has a molecular weight of 240.39 g/mol, XLogP of 2.02, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-methoxypyrrolidin-1-yl)hexyl]cyclopropanamine is sourced from PubChem (CID 103539769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).