N-[[1-[2-(diethylamino)ethyl]pyrrol-2-yl]methyl]cyclopropanamine

C14H25N3 — CID 66402201

IUPACN-[[1-[2-(diethylamino)ethyl]pyrrol-2-yl]methyl]cyclopropanamine
SMILESCCN(CC)CCn1cccc1CNC1CC1
InChIInChI=1S/C14H25N3/c1-3-16(4-2)10-11-17-9-5-6-14(17)12-15-13-7-8-13/h5-6,9,13,15H,3-4,7-8,10-12H2,1-2H3
InChIKeyYFUUEPMAGWXESP-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.08
Rot. Bonds8

About N-[[1-[2-(diethylamino)ethyl]pyrrol-2-yl]methyl]cyclopropanamine

N-[[1-[2-(diethylamino)ethyl]pyrrol-2-yl]methyl]cyclopropanamine (PubChem CID 66402201) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[[1-[2-(diethylamino)ethyl]pyrrol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[2-(diethylamino)ethyl]pyrrol-2-yl]methyl]cyclopropanamine
PubChem CID66402201
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-[[1-[2-(diethylamino)ethyl]pyrrol-2-yl]methyl]cyclopropanamine
SMILESCCN(CC)CCn1cccc1CNC1CC1
InChIInChI=1S/C14H25N3/c1-3-16(4-2)10-11-17-9-5-6-14(17)12-15-13-7-8-13/h5-6,9,13,15H,3-4,7-8,10-12H2,1-2H3
InChIKeyYFUUEPMAGWXESP-UHFFFAOYSA-N
XLogP2.08
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[(1-propylpyrrol-2-yl)methyl]cyclohexan-1-amine
CID 66412264
N-[(1-heptylpyrrol-2-yl)methyl]cyclopropanamine
CID 66402783
2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]ethanol
CID 66401036
N-[(1-ethylpyrrol-2-yl)methyl]-4-methylcyclohexan-1-amine
CID 66412458
N-[[1-(2-ethylbutyl)pyrrol-2-yl]methyl]cyclopropanamine
CID 82928473
methyl 3-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]propanoate
CID 66401619
N-[(1-ethylpyrrol-2-yl)methyl]cyclohexanamine
CID 66411275
N-[(1-ethylpyrrol-2-yl)methyl]cyclooctanamine
CID 66410893
N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66402405
4-[(1-propylpyrrol-2-yl)methylamino]cyclohexane-1-carboxamide
CID 66412930
N-[(1-ethylpyrrol-2-yl)methyl]-4-methylsulfanylcyclohexan-1-amine
CID 114122687
N-[[1-[2-(diethylamino)ethyl]indol-6-yl]methyl]cyclopropanamine
CID 102916924

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(diethylamino)ethyl]pyrrol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[2-(diethylamino)ethyl]pyrrol-2-yl]methyl]cyclopropanamine (CID 66402201) is N-[[1-[2-(diethylamino)ethyl]pyrrol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[2-(diethylamino)ethyl]pyrrol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[2-(diethylamino)ethyl]pyrrol-2-yl]methyl]cyclopropanamine is CCN(CC)CCn1cccc1CNC1CC1.
What is the InChIKey of N-[[1-[2-(diethylamino)ethyl]pyrrol-2-yl]methyl]cyclopropanamine?
The InChIKey is YFUUEPMAGWXESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-16(4-2)10-11-17-9-5-6-14(17)12-15-13-7-8-13/h5-6,9,13,15H,3-4,7-8,10-12H2,1-2H3.
What are the key properties of N-[[1-[2-(diethylamino)ethyl]pyrrol-2-yl]methyl]cyclopropanamine?
N-[[1-[2-(diethylamino)ethyl]pyrrol-2-yl]methyl]cyclopropanamine has a molecular weight of 235.37 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(diethylamino)ethyl]pyrrol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66402201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).