N,N,2-trimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine

C11H21N3 — CID 116905378

IUPACN,N,2-trimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine
SMILESCC(CCN)C(c1cc[nH]c1)N(C)C
InChIInChI=1S/C11H21N3/c1-9(4-6-12)11(14(2)3)10-5-7-13-8-10/h5,7-9,11,13H,4,6,12H2,1-3H3
InChIKeyKHWAGAJXOOVRRH-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.60
Rot. Bonds5

About N,N,2-trimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine

N,N,2-trimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine (PubChem CID 116905378) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N,N,2-trimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN,N,2-trimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine
PubChem CID116905378
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN,N,2-trimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine
SMILESCC(CCN)C(c1cc[nH]c1)N(C)C
InChIInChI=1S/C11H21N3/c1-9(4-6-12)11(14(2)3)10-5-7-13-8-10/h5,7-9,11,13H,4,6,12H2,1-3H3
InChIKeyKHWAGAJXOOVRRH-UHFFFAOYSA-N
XLogP1.60
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(1H-pyrrol-3-yl)propan-1-ol
CID 82280085
5-[4-amino-1-(dimethylamino)-2-methylbutyl]-1,3-dihydrobenzimidazol-2-one
CID 116905392
N,N,2-trimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine
CID 116905417
2-(1H-pyrrol-3-yl)propan-1-amine
CID 82280053
2-[dimethylamino(1H-pyrrol-3-yl)methyl]-3-methylbutanoic acid
CID 116913167
2-[dimethylamino(1H-pyrrol-3-yl)methyl]butanenitrile
CID 116913716
N,N,2-trimethyl-1-(2-methylphenyl)butane-1,4-diamine
CID 116905402
N-methyl-1-(1H-pyrrol-3-yl)ethane-1,2-diamine
CID 116855697
3-[dimethylamino(1H-pyrrol-3-yl)methyl]cyclobutan-1-amine
CID 116907314
N,N,N'-trimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine
CID 116905271
2-[4-[dimethylamino(1H-pyrrol-3-yl)methyl]piperidin-1-yl]ethanamine
CID 116907376
1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(1H-pyrrol-3-yl)methanamine
CID 116913048

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine?
The IUPAC name of N,N,2-trimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine (CID 116905378) is N,N,2-trimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine.
What is the SMILES notation for N,N,2-trimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine?
The canonical SMILES for N,N,2-trimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine is CC(CCN)C(c1cc[nH]c1)N(C)C.
What is the InChIKey of N,N,2-trimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine?
The InChIKey is KHWAGAJXOOVRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-9(4-6-12)11(14(2)3)10-5-7-13-8-10/h5,7-9,11,13H,4,6,12H2,1-3H3.
What are the key properties of N,N,2-trimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine?
N,N,2-trimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine has a molecular weight of 195.31 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine is sourced from PubChem (CID 116905378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).