1-N,1-N-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)butane-1,3-diamine

C11H21N3 — CID 62339423

IUPAC1-N,1-N-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)butane-1,3-diamine
SMILESCC(CCN(C)C)NCc1ccc[nH]1
InChIInChI=1S/C11H21N3/c1-10(6-8-14(2)3)13-9-11-5-4-7-12-11/h4-5,7,10,12-13H,6,8-9H2,1-3H3
InChIKeyFZJPYDBQUSUPPH-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.44
Rot. Bonds6

About 1-N,1-N-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)butane-1,3-diamine

1-N,1-N-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)butane-1,3-diamine (PubChem CID 62339423) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)butane-1,3-diamine
PubChem CID62339423
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-N,1-N-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)butane-1,3-diamine
SMILESCC(CCN(C)C)NCc1ccc[nH]1
InChIInChI=1S/C11H21N3/c1-10(6-8-14(2)3)13-9-11-5-4-7-12-11/h4-5,7,10,12-13H,6,8-9H2,1-3H3
InChIKeyFZJPYDBQUSUPPH-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,4,4-trifluoro-N-(1H-pyrrol-2-ylmethyl)butan-2-amine
CID 103578817
3-N-[(4-ethylphenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 54963961
3-N-(1H-indol-5-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 102910480
N-(1H-pyrrol-2-ylmethyl)hexan-3-amine
CID 62338893
(1R)-1-(2-bromophenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 81378080
1-(2-bromophenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 60663586
3-N-[(2-methoxyphenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 54963960
1-N,1-N-dimethyl-3-N-[(4-methylsulfanylphenyl)methyl]butane-1,3-diamine
CID 54963566
(1R)-1-cyclopentyl-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 81396209
2-methylsulfanyl-3-(1H-pyrrol-2-ylmethylamino)butan-1-ol
CID 103578656
4-methyl-N-(1H-pyrrol-2-ylmethyl)pentan-1-amine
CID 62339578
1-[4-(ethylaminomethyl)-1H-pyrrol-2-yl]-N-(1H-pyrrol-2-ylmethyl)propan-2-amine
CID 170245862

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)butane-1,3-diamine?
The IUPAC name of 1-N,1-N-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)butane-1,3-diamine (CID 62339423) is 1-N,1-N-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)butane-1,3-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)butane-1,3-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)butane-1,3-diamine is CC(CCN(C)C)NCc1ccc[nH]1.
What is the InChIKey of 1-N,1-N-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)butane-1,3-diamine?
The InChIKey is FZJPYDBQUSUPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-10(6-8-14(2)3)13-9-11-5-4-7-12-11/h4-5,7,10,12-13H,6,8-9H2,1-3H3.
What are the key properties of 1-N,1-N-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)butane-1,3-diamine?
1-N,1-N-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)butane-1,3-diamine has a molecular weight of 195.31 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-3-N-(1H-pyrrol-2-ylmethyl)butane-1,3-diamine is sourced from PubChem (CID 62339423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).