N-methyl-1-(1H-pyrrol-3-yl)ethane-1,2-diamine

C7H13N3 — CID 116855697

IUPACN-methyl-1-(1H-pyrrol-3-yl)ethane-1,2-diamine
SMILESCNC(CN)c1cc[nH]c1
InChIInChI=1S/C7H13N3/c1-9-7(4-8)6-2-3-10-5-6/h2-3,5,7,9-10H,4,8H2,1H3
InChIKeyKIJPXFZALFHFQO-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.23
Rot. Bonds3

About N-methyl-1-(1H-pyrrol-3-yl)ethane-1,2-diamine

N-methyl-1-(1H-pyrrol-3-yl)ethane-1,2-diamine (PubChem CID 116855697) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is N-methyl-1-(1H-pyrrol-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-1-(1H-pyrrol-3-yl)ethane-1,2-diamine
PubChem CID116855697
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC NameN-methyl-1-(1H-pyrrol-3-yl)ethane-1,2-diamine
SMILESCNC(CN)c1cc[nH]c1
InChIInChI=1S/C7H13N3/c1-9-7(4-8)6-2-3-10-5-6/h2-3,5,7,9-10H,4,8H2,1H3
InChIKeyKIJPXFZALFHFQO-UHFFFAOYSA-N
XLogP0.23
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-(methylamino)-4-(1H-pyrrol-3-yl)butanenitrile
CID 116955311
N,N'-dimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine
CID 116949458
2-(1H-pyrrol-3-yl)propan-1-amine
CID 82280053
tert-butyl N-[2-(methylamino)-2-(1H-pyrrol-3-yl)ethyl]carbamate
CID 116861272
1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine
CID 115524319
1-N,2-dimethyl-1-(1H-pyrrol-3-yl)propane-1,2-diamine
CID 116948256
N-methyl-4-piperazin-1-yl-1-(1H-pyrrol-3-yl)butan-1-amine
CID 116957135
N-methyl-3-piperazin-1-yl-1-(1H-pyrrol-3-yl)butan-1-amine
CID 116960921
1-[methylamino(1H-pyrrol-3-yl)methyl]cyclopropan-1-amine
CID 116961220
2-(4-tert-butylphenyl)-2-(1H-pyrrol-3-yl)ethanamine
CID 82293455
N-methyl-2-(1H-pyrrol-3-yl)butan-1-amine
CID 116964699
3-amino-N-methyl-3-(1H-pyrrol-3-yl)propanamide
CID 116850660

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1H-pyrrol-3-yl)ethane-1,2-diamine?
The IUPAC name of N-methyl-1-(1H-pyrrol-3-yl)ethane-1,2-diamine (CID 116855697) is N-methyl-1-(1H-pyrrol-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-1-(1H-pyrrol-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-1-(1H-pyrrol-3-yl)ethane-1,2-diamine is CNC(CN)c1cc[nH]c1.
What is the InChIKey of N-methyl-1-(1H-pyrrol-3-yl)ethane-1,2-diamine?
The InChIKey is KIJPXFZALFHFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-9-7(4-8)6-2-3-10-5-6/h2-3,5,7,9-10H,4,8H2,1H3.
What are the key properties of N-methyl-1-(1H-pyrrol-3-yl)ethane-1,2-diamine?
N-methyl-1-(1H-pyrrol-3-yl)ethane-1,2-diamine has a molecular weight of 139.20 g/mol, XLogP of 0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1H-pyrrol-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 116855697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).