N-(3-chloropropyl)-N-methyl-1H-pyrrol-2-amine

C8H13ClN2 — CID 115215519

IUPACN-(3-chloropropyl)-N-methyl-1H-pyrrol-2-amine
SMILESCN(CCCCl)c1ccc[nH]1
InChIInChI=1S/C8H13ClN2/c1-11(7-3-5-9)8-4-2-6-10-8/h2,4,6,10H,3,5,7H2,1H3
InChIKeyAHEWFTQKLVHGCI-UHFFFAOYSA-N
MW172.66 g/mol
LogP2.08
Rot. Bonds4

About N-(3-chloropropyl)-N-methyl-1H-pyrrol-2-amine

N-(3-chloropropyl)-N-methyl-1H-pyrrol-2-amine (PubChem CID 115215519) has the molecular formula C8H13ClN2 and a molecular weight of 172.66 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-methyl-1H-pyrrol-2-amine.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-methyl-1H-pyrrol-2-amine
PubChem CID115215519
Molecular FormulaC8H13ClN2
Molecular Weight172.66 g/mol
Exact Mass172.08
IUPAC NameN-(3-chloropropyl)-N-methyl-1H-pyrrol-2-amine
SMILESCN(CCCCl)c1ccc[nH]1
InChIInChI=1S/C8H13ClN2/c1-11(7-3-5-9)8-4-2-6-10-8/h2,4,6,10H,3,5,7H2,1H3
InChIKeyAHEWFTQKLVHGCI-UHFFFAOYSA-N
XLogP2.08
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.66
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl(1H-pyrrol-2-yl)amino]acetonitrile
CID 115130858
N,N-dimethyl-N'-octyl-N'-(1H-pyrrol-2-yl)ethane-1,2-diamine
CID 71575889
3-methyl-4-[methyl(1H-pyrrol-2-yl)amino]butanoic acid
CID 115219832
N-[(3-aminocyclobutyl)methyl]-N-methyl-1H-pyrrol-2-amine
CID 115213951
N-pentyl-N-(1H-pyrrol-2-yl)formamide
CID 173285327
N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-1H-pyrrol-2-amine
CID 115246125
3-methyl-2-[[methyl(1H-pyrrol-2-yl)amino]methyl]butanenitrile
CID 115254376
N-methyl-N-[[4-(methylamino)phenyl]methyl]-1H-pyrrol-2-amine
CID 115212707
N-ethyl-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine;titanium
CID 87971056
(E)-4-[methyl(1H-pyrrol-2-yl)amino]but-2-enoic acid
CID 115237006
3,3-dimethyl-4-[methyl(1H-pyrrol-2-yl)amino]butanoic acid
CID 115220280
N-methyl-N-[[3-(methylamino)phenyl]methyl]-1H-pyrrol-2-amine
CID 115212150

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-methyl-1H-pyrrol-2-amine?
The IUPAC name of N-(3-chloropropyl)-N-methyl-1H-pyrrol-2-amine (CID 115215519) is N-(3-chloropropyl)-N-methyl-1H-pyrrol-2-amine.
What is the SMILES notation for N-(3-chloropropyl)-N-methyl-1H-pyrrol-2-amine?
The canonical SMILES for N-(3-chloropropyl)-N-methyl-1H-pyrrol-2-amine is CN(CCCCl)c1ccc[nH]1.
What is the InChIKey of N-(3-chloropropyl)-N-methyl-1H-pyrrol-2-amine?
The InChIKey is AHEWFTQKLVHGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2/c1-11(7-3-5-9)8-4-2-6-10-8/h2,4,6,10H,3,5,7H2,1H3.
What are the key properties of N-(3-chloropropyl)-N-methyl-1H-pyrrol-2-amine?
N-(3-chloropropyl)-N-methyl-1H-pyrrol-2-amine has a molecular weight of 172.66 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-methyl-1H-pyrrol-2-amine is sourced from PubChem (CID 115215519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).