1-N,3-dimethyl-1-N-(1H-pyrrol-3-yl)butane-1,3-diamine

C10H19N3 — CID 115200501

IUPAC1-N,3-dimethyl-1-N-(1H-pyrrol-3-yl)butane-1,3-diamine
SMILESCN(CCC(C)(C)N)c1cc[nH]c1
InChIInChI=1S/C10H19N3/c1-10(2,11)5-7-13(3)9-4-6-12-8-9/h4,6,8,12H,5,7,11H2,1-3H3
InChIKeyKHUYERKBAYEFRI-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.58
Rot. Bonds4

About 1-N,3-dimethyl-1-N-(1H-pyrrol-3-yl)butane-1,3-diamine

1-N,3-dimethyl-1-N-(1H-pyrrol-3-yl)butane-1,3-diamine (PubChem CID 115200501) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-N,3-dimethyl-1-N-(1H-pyrrol-3-yl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N,3-dimethyl-1-N-(1H-pyrrol-3-yl)butane-1,3-diamine
PubChem CID115200501
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name1-N,3-dimethyl-1-N-(1H-pyrrol-3-yl)butane-1,3-diamine
SMILESCN(CCC(C)(C)N)c1cc[nH]c1
InChIInChI=1S/C10H19N3/c1-10(2,11)5-7-13(3)9-4-6-12-8-9/h4,6,8,12H,5,7,11H2,1-3H3
InChIKeyKHUYERKBAYEFRI-UHFFFAOYSA-N
XLogP1.58
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,3-dimethyl-1-N-phenylbutane-1,3-diamine
CID 10797840
4-amino-N,4-dimethyl-N-(1H-pyrrol-3-yl)pentanamide
CID 115157553
1-N,3-dimethyl-1-N-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]butane-1,3-diamine
CID 116973472
N-cyclopropyl-N'-methyl-N'-(1H-pyrrol-3-yl)ethane-1,2-diamine
CID 115206869
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1H-pyrrol-3-amine
CID 115245714
1-N-(5-tert-butyl-2-methylphenyl)-1-N,3-dimethylbutane-1,3-diamine
CID 115200470
1-N-(2,4-dichlorophenyl)-1-N,3-dimethylbutane-1,3-diamine
CID 115200543
N-[4-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine
CID 117041628
1-N,3-dimethyl-1-N-(1-methylindol-3-yl)butane-1,3-diamine
CID 115200498
1-N-(5-chloro-2-methylphenyl)-1-N,3-dimethylbutane-1,3-diamine
CID 117028791
1-N,3-dimethyl-1-N-[2-(1H-pyrrol-2-yl)ethyl]butane-1,3-diamine
CID 115200886
1-N-(4-bromo-2-methylphenyl)-1-N,3-dimethylbutane-1,3-diamine
CID 117028807

Frequently Asked Questions

What is the IUPAC name of 1-N,3-dimethyl-1-N-(1H-pyrrol-3-yl)butane-1,3-diamine?
The IUPAC name of 1-N,3-dimethyl-1-N-(1H-pyrrol-3-yl)butane-1,3-diamine (CID 115200501) is 1-N,3-dimethyl-1-N-(1H-pyrrol-3-yl)butane-1,3-diamine.
What is the SMILES notation for 1-N,3-dimethyl-1-N-(1H-pyrrol-3-yl)butane-1,3-diamine?
The canonical SMILES for 1-N,3-dimethyl-1-N-(1H-pyrrol-3-yl)butane-1,3-diamine is CN(CCC(C)(C)N)c1cc[nH]c1.
What is the InChIKey of 1-N,3-dimethyl-1-N-(1H-pyrrol-3-yl)butane-1,3-diamine?
The InChIKey is KHUYERKBAYEFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-10(2,11)5-7-13(3)9-4-6-12-8-9/h4,6,8,12H,5,7,11H2,1-3H3.
What are the key properties of 1-N,3-dimethyl-1-N-(1H-pyrrol-3-yl)butane-1,3-diamine?
1-N,3-dimethyl-1-N-(1H-pyrrol-3-yl)butane-1,3-diamine has a molecular weight of 181.28 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-dimethyl-1-N-(1H-pyrrol-3-yl)butane-1,3-diamine is sourced from PubChem (CID 115200501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).