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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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).