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

C10H17N3 — CID 115206869

IUPACN-cyclopropyl-N'-methyl-N'-(1H-pyrrol-3-yl)ethane-1,2-diamine
SMILESCN(CCNC1CC1)c1cc[nH]c1
InChIInChI=1S/C10H17N3/c1-13(10-4-5-11-8-10)7-6-12-9-2-3-9/h4-5,8-9,11-12H,2-3,6-7H2,1H3
InChIKeyPPHWEFQMHZPDCS-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.20
Rot. Bonds5

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

N-cyclopropyl-N'-methyl-N'-(1H-pyrrol-3-yl)ethane-1,2-diamine (PubChem CID 115206869) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N-cyclopropyl-N'-methyl-N'-(1H-pyrrol-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-methyl-N'-(1H-pyrrol-3-yl)ethane-1,2-diamine
PubChem CID115206869
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN-cyclopropyl-N'-methyl-N'-(1H-pyrrol-3-yl)ethane-1,2-diamine
SMILESCN(CCNC1CC1)c1cc[nH]c1
InChIInChI=1S/C10H17N3/c1-13(10-4-5-11-8-10)7-6-12-9-2-3-9/h4-5,8-9,11-12H,2-3,6-7H2,1H3
InChIKeyPPHWEFQMHZPDCS-UHFFFAOYSA-N
XLogP1.20
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[[4-(methylamino)cyclohexyl]methyl]-1H-pyrrol-3-amine
CID 115213622
N-cyclopropyl-N'-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine
CID 115206849
N-cyclopropyl-N'-methyl-N'-(4-propylphenyl)ethane-1,2-diamine
CID 115206831
N'-(4-methoxyphenyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 62554132
N-cyclopropyl-N'-methyl-N'-(2,3,4-trimethylphenyl)ethane-1,2-diamine
CID 115206920
6-[2-(cyclopropylamino)ethyl-methylamino]-3H-1,3-benzoxazol-2-one
CID 115206901
1-N,3-dimethyl-1-N-(1H-pyrrol-3-yl)butane-1,3-diamine
CID 115200501
N-cycloheptyl-N'-(3,5-dimethylphenyl)-N'-methylethane-1,2-diamine
CID 63504270
N-cyclopropyl-N'-methyl-N'-(4-methylphenyl)butane-1,4-diamine
CID 62429801
N-cyclohexyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine
CID 55085371
N-cyclopropyl-N'-methyl-N'-(5-methylpyrimidin-2-yl)ethane-1,2-diamine
CID 63206209
N'-(4-fluorophenyl)-N'-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 62554580

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-methyl-N'-(1H-pyrrol-3-yl)ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-N'-methyl-N'-(1H-pyrrol-3-yl)ethane-1,2-diamine (CID 115206869) is N-cyclopropyl-N'-methyl-N'-(1H-pyrrol-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-N'-methyl-N'-(1H-pyrrol-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-N'-methyl-N'-(1H-pyrrol-3-yl)ethane-1,2-diamine is CN(CCNC1CC1)c1cc[nH]c1.
What is the InChIKey of N-cyclopropyl-N'-methyl-N'-(1H-pyrrol-3-yl)ethane-1,2-diamine?
The InChIKey is PPHWEFQMHZPDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-13(10-4-5-11-8-10)7-6-12-9-2-3-9/h4-5,8-9,11-12H,2-3,6-7H2,1H3.
What are the key properties of N-cyclopropyl-N'-methyl-N'-(1H-pyrrol-3-yl)ethane-1,2-diamine?
N-cyclopropyl-N'-methyl-N'-(1H-pyrrol-3-yl)ethane-1,2-diamine has a molecular weight of 179.27 g/mol, XLogP of 1.20, 5 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-yl)ethane-1,2-diamine is sourced from PubChem (CID 115206869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).