N-[(1-heptylpyrrol-2-yl)methyl]cyclopropanamine

C15H26N2 — CID 66402783

IUPACN-[(1-heptylpyrrol-2-yl)methyl]cyclopropanamine
SMILESCCCCCCCn1cccc1CNC1CC1
InChIInChI=1S/C15H26N2/c1-2-3-4-5-6-11-17-12-7-8-15(17)13-16-14-9-10-14/h7-8,12,14,16H,2-6,9-11,13H2,1H3
InChIKeySETHRVFVYVCEEK-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.71
Rot. Bonds9

About N-[(1-heptylpyrrol-2-yl)methyl]cyclopropanamine

N-[(1-heptylpyrrol-2-yl)methyl]cyclopropanamine (PubChem CID 66402783) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-[(1-heptylpyrrol-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1-heptylpyrrol-2-yl)methyl]cyclopropanamine
PubChem CID66402783
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-[(1-heptylpyrrol-2-yl)methyl]cyclopropanamine
SMILESCCCCCCCn1cccc1CNC1CC1
InChIInChI=1S/C15H26N2/c1-2-3-4-5-6-11-17-12-7-8-15(17)13-16-14-9-10-14/h7-8,12,14,16H,2-6,9-11,13H2,1H3
InChIKeySETHRVFVYVCEEK-UHFFFAOYSA-N
XLogP3.71
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.71
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

4-methyl-N-[(1-propylpyrrol-2-yl)methyl]cyclohexan-1-amine
CID 66412264
N-[(1-ethylpyrrol-2-yl)methyl]-4-methylcyclohexan-1-amine
CID 66412458
4-[(1-propylpyrrol-2-yl)methylamino]cyclohexane-1-carboxamide
CID 66412930
N-[(1-decylpyrrol-2-yl)methyl]ethanamine
CID 66402163
2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]ethanol
CID 66401036
N-[[1-[2-(diethylamino)ethyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66402201
1-butyl-N-[(1-ethylpyrrol-2-yl)methyl]piperidin-4-amine
CID 66412732
methyl 3-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]propanoate
CID 66401619
N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66402405
N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine
CID 66401799
2-methyl-N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine
CID 66401049
N-[(1-octylimidazol-2-yl)methyl]cyclopropanamine
CID 55048995

Frequently Asked Questions

What is the IUPAC name of N-[(1-heptylpyrrol-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(1-heptylpyrrol-2-yl)methyl]cyclopropanamine (CID 66402783) is N-[(1-heptylpyrrol-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(1-heptylpyrrol-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(1-heptylpyrrol-2-yl)methyl]cyclopropanamine is CCCCCCCn1cccc1CNC1CC1.
What is the InChIKey of N-[(1-heptylpyrrol-2-yl)methyl]cyclopropanamine?
The InChIKey is SETHRVFVYVCEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-2-3-4-5-6-11-17-12-7-8-15(17)13-16-14-9-10-14/h7-8,12,14,16H,2-6,9-11,13H2,1H3.
What are the key properties of N-[(1-heptylpyrrol-2-yl)methyl]cyclopropanamine?
N-[(1-heptylpyrrol-2-yl)methyl]cyclopropanamine has a molecular weight of 234.39 g/mol, XLogP of 3.71, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-heptylpyrrol-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 66402783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).