N'-[1-(1H-pyrrol-2-yl)propyl]ethane-1,2-diamine

C9H17N3 — CID 70457656

IUPACN'-[1-(1H-pyrrol-2-yl)propyl]ethane-1,2-diamine
SMILESCCC(NCCN)c1ccc[nH]1
InChIInChI=1S/C9H17N3/c1-2-8(12-7-5-10)9-4-3-6-11-9/h3-4,6,8,11-12H,2,5,7,10H2,1H3
InChIKeyMKCZWPLXGCJGLC-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.01
Rot. Bonds5

About N'-[1-(1H-pyrrol-2-yl)propyl]ethane-1,2-diamine

N'-[1-(1H-pyrrol-2-yl)propyl]ethane-1,2-diamine (PubChem CID 70457656) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N'-[1-(1H-pyrrol-2-yl)propyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(1H-pyrrol-2-yl)propyl]ethane-1,2-diamine
PubChem CID70457656
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN'-[1-(1H-pyrrol-2-yl)propyl]ethane-1,2-diamine
SMILESCCC(NCCN)c1ccc[nH]1
InChIInChI=1S/C9H17N3/c1-2-8(12-7-5-10)9-4-3-6-11-9/h3-4,6,8,11-12H,2,5,7,10H2,1H3
InChIKeyMKCZWPLXGCJGLC-UHFFFAOYSA-N
XLogP1.01
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[1-(furan-2-yl)propyl]ethane-1,2-diamine
CID 62633441
1-N-methyl-1-(1H-pyrrol-2-yl)butane-1,3-diamine
CID 116948881
1-(1H-pyrrol-2-yl)ethane-1,2-diamine
CID 55293480
N'-(1-phenylpropyl)propane-1,3-diamine
CID 60889497
2-hexan-3-yl-1H-pyrrole
CID 91299490
(1S)-1-(1H-pyrrol-2-yl)butan-1-amine
CID 96637438
N,2-dimethyl-1-(1H-pyrrol-2-yl)propane-1,3-diamine
CID 116948725
2-heptan-3-yl-1H-pyrrole
CID 151647430
N-[(4-ethylphenyl)-(1H-pyrrol-2-yl)methyl]propan-1-amine
CID 112742707
5-amino-N-[1-(1H-pyrrol-2-yl)propyl]-2,3-dihydro-1,4-benzodioxine-8-carboxamide
CID 70548324
ethyl (3R)-3-amino-2-fluoro-3-(1H-pyrrol-2-yl)propanoate
CID 171240215
2-(1-phenylbutan-2-yl)-1H-pyrrole
CID 57270402

Frequently Asked Questions

What is the IUPAC name of N'-[1-(1H-pyrrol-2-yl)propyl]ethane-1,2-diamine?
The IUPAC name of N'-[1-(1H-pyrrol-2-yl)propyl]ethane-1,2-diamine (CID 70457656) is N'-[1-(1H-pyrrol-2-yl)propyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[1-(1H-pyrrol-2-yl)propyl]ethane-1,2-diamine?
The canonical SMILES for N'-[1-(1H-pyrrol-2-yl)propyl]ethane-1,2-diamine is CCC(NCCN)c1ccc[nH]1.
What is the InChIKey of N'-[1-(1H-pyrrol-2-yl)propyl]ethane-1,2-diamine?
The InChIKey is MKCZWPLXGCJGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-2-8(12-7-5-10)9-4-3-6-11-9/h3-4,6,8,11-12H,2,5,7,10H2,1H3.
What are the key properties of N'-[1-(1H-pyrrol-2-yl)propyl]ethane-1,2-diamine?
N'-[1-(1H-pyrrol-2-yl)propyl]ethane-1,2-diamine has a molecular weight of 167.26 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(1H-pyrrol-2-yl)propyl]ethane-1,2-diamine is sourced from PubChem (CID 70457656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).