N,N,N'-trimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine

C11H21N3 — CID 116905271

IUPACN,N,N'-trimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine
SMILESCNCCCC(c1cc[nH]c1)N(C)C
InChIInChI=1S/C11H21N3/c1-12-7-4-5-11(14(2)3)10-6-8-13-9-10/h6,8-9,11-13H,4-5,7H2,1-3H3
InChIKeyKGLAZCLDSYGMPN-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.62
Rot. Bonds6

About N,N,N'-trimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine

N,N,N'-trimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine (PubChem CID 116905271) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N,N,N'-trimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine
PubChem CID116905271
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN,N,N'-trimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine
SMILESCNCCCC(c1cc[nH]c1)N(C)C
InChIInChI=1S/C11H21N3/c1-12-7-4-5-11(14(2)3)10-6-8-13-9-10/h6,8-9,11-13H,4-5,7H2,1-3H3
InChIKeyKGLAZCLDSYGMPN-UHFFFAOYSA-N
XLogP1.62
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.62
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,N'-dimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine
CID 116949458
N-methyl-2-(1H-pyrrol-3-yl)butan-1-amine
CID 116964699
N,N,N'-trimethyl-1-(2-methyl-1H-indol-3-yl)butane-1,4-diamine
CID 116905269
N-methyl-N'-[2-(1H-pyrrol-3-yl)ethyl]propane-1,3-diamine
CID 115198001
2,2,2-trifluoro-N,N-dimethyl-1-(1H-pyrrol-3-yl)ethanamine
CID 116914360
N-methyl-1-(1H-pyrrol-3-yl)ethane-1,2-diamine
CID 116855697
methyl 2-(dimethylamino)-2-(1H-pyrrol-3-yl)acetate
CID 116857108
4-(methylamino)-4-(1H-pyrrol-3-yl)butanenitrile
CID 116955311
ethane;N-methyl-4,4-diphenylbutan-1-amine
CID 142989405
[1-(methylaminomethyl)cyclobutyl]-(1H-pyrrol-3-yl)methanamine
CID 116943976
1-(4-fluorophenyl)-N'-methylbutane-1,4-diamine
CID 116933824
1-[methylamino(1H-pyrrol-3-yl)methyl]cyclopropan-1-amine
CID 116961220

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine?
The IUPAC name of N,N,N'-trimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine (CID 116905271) is N,N,N'-trimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine.
What is the SMILES notation for N,N,N'-trimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine?
The canonical SMILES for N,N,N'-trimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine is CNCCCC(c1cc[nH]c1)N(C)C.
What is the InChIKey of N,N,N'-trimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine?
The InChIKey is KGLAZCLDSYGMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-12-7-4-5-11(14(2)3)10-6-8-13-9-10/h6,8-9,11-13H,4-5,7H2,1-3H3.
What are the key properties of N,N,N'-trimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine?
N,N,N'-trimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine has a molecular weight of 195.31 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine is sourced from PubChem (CID 116905271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).