N'-cyclopropyl-N'-methyl-N-(1H-pyrrol-3-ylmethyl)ethane-1,2-diamine

C11H19N3 — CID 66408114

IUPACN'-cyclopropyl-N'-methyl-N-(1H-pyrrol-3-ylmethyl)ethane-1,2-diamine
SMILESCN(CCNCc1cc[nH]c1)C1CC1
InChIInChI=1S/C11H19N3/c1-14(11-2-3-11)7-6-13-9-10-4-5-12-8-10/h4-5,8,11-13H,2-3,6-7,9H2,1H3
InChIKeyXJCWUANFTUSCPW-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.20
Rot. Bonds6

About N'-cyclopropyl-N'-methyl-N-(1H-pyrrol-3-ylmethyl)ethane-1,2-diamine

N'-cyclopropyl-N'-methyl-N-(1H-pyrrol-3-ylmethyl)ethane-1,2-diamine (PubChem CID 66408114) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N'-cyclopropyl-N'-methyl-N-(1H-pyrrol-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-methyl-N-(1H-pyrrol-3-ylmethyl)ethane-1,2-diamine
PubChem CID66408114
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN'-cyclopropyl-N'-methyl-N-(1H-pyrrol-3-ylmethyl)ethane-1,2-diamine
SMILESCN(CCNCc1cc[nH]c1)C1CC1
InChIInChI=1S/C11H19N3/c1-14(11-2-3-11)7-6-13-9-10-4-5-12-8-10/h4-5,8,11-13H,2-3,6-7,9H2,1H3
InChIKeyXJCWUANFTUSCPW-UHFFFAOYSA-N
XLogP1.20
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclopropyl-N'-propan-2-yl-N-(1H-pyrrol-3-ylmethyl)ethane-1,2-diamine
CID 115686191
N'-cyclopropyl-N-[(4-ethylphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62977559
N'-cyclopropyl-N'-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62977755
N'-cyclopentyl-N-[[4-(dimethylamino)phenyl]methyl]-N'-methylethane-1,2-diamine
CID 63314701
2-(1H-pyrrol-3-ylmethylamino)ethanethiol
CID 115223957
N-methyl-N-(1H-pyrrol-3-ylmethyl)cyclopentanamine
CID 127013314
2-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine
CID 115686124
2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]phenol
CID 62976073
4-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]-N-methylbenzamide
CID 55141226
N-(furan-3-ylmethyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 62576103
N-[(4-chloro-3-fluorophenyl)methyl]-N'-cyclopropyl-N'-methylethane-1,2-diamine
CID 62975741
1-(2-methylcyclohexyl)-N-(1H-pyrrol-3-ylmethyl)methanamine
CID 66409634

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-methyl-N-(1H-pyrrol-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-methyl-N-(1H-pyrrol-3-ylmethyl)ethane-1,2-diamine (CID 66408114) is N'-cyclopropyl-N'-methyl-N-(1H-pyrrol-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-methyl-N-(1H-pyrrol-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-methyl-N-(1H-pyrrol-3-ylmethyl)ethane-1,2-diamine is CN(CCNCc1cc[nH]c1)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-methyl-N-(1H-pyrrol-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is XJCWUANFTUSCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-14(11-2-3-11)7-6-13-9-10-4-5-12-8-10/h4-5,8,11-13H,2-3,6-7,9H2,1H3.
What are the key properties of N'-cyclopropyl-N'-methyl-N-(1H-pyrrol-3-ylmethyl)ethane-1,2-diamine?
N'-cyclopropyl-N'-methyl-N-(1H-pyrrol-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 193.29 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-methyl-N-(1H-pyrrol-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 66408114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).