3,4-dibutyl-1H-pyrrol-2-amine

C12H22N2 — CID 91421970

IUPAC3,4-dibutyl-1H-pyrrol-2-amine
SMILESCCCCc1c[nH]c(N)c1CCCC
InChIInChI=1S/C12H22N2/c1-3-5-7-10-9-14-12(13)11(10)8-6-4-2/h9,14H,3-8,13H2,1-2H3
InChIKeyQCXSTIZFEUDVMQ-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.28
Rot. Bonds6

About 3,4-dibutyl-1H-pyrrol-2-amine

3,4-dibutyl-1H-pyrrol-2-amine (PubChem CID 91421970) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 3,4-dibutyl-1H-pyrrol-2-amine.

Molecular Properties

Compound Name3,4-dibutyl-1H-pyrrol-2-amine
PubChem CID91421970
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name3,4-dibutyl-1H-pyrrol-2-amine
SMILESCCCCc1c[nH]c(N)c1CCCC
InChIInChI=1S/C12H22N2/c1-3-5-7-10-9-14-12(13)11(10)8-6-4-2/h9,14H,3-8,13H2,1-2H3
InChIKeyQCXSTIZFEUDVMQ-UHFFFAOYSA-N
XLogP3.28
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 175267358
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3,4-dibutylbenzene-1,2-diamine
CID 18764845
3,4-dibutyl-1H-phosphol-2-amine
CID 91386748
ethyl 4-butyl-3-methyl-1H-pyrrole-2-carboxylate
CID 10878397
1,2,3,4,5,6-hexabutylbenzene
CID 12586860
2-[(Z)-1-amino-2-(2-amino-4-butyl-1H-pyrrol-3-yl)ethenyl]phenol
CID 177022974
3,4,5-tributylpyridine
CID 173010708
1,2,3-tributylbenzene;hydrate
CID 172716323
5,6-dibutyl-2H-benzotriazol-4-amine
CID 174872373
3-butyl-6-ethyl-5-methyl-1H-indole
CID 123200442
3-amino-7-butyl-1,5-dihydropyrazolo[4,5-c]pyridin-4-one
CID 137095242

Frequently Asked Questions

What is the IUPAC name of 3,4-dibutyl-1H-pyrrol-2-amine?
The IUPAC name of 3,4-dibutyl-1H-pyrrol-2-amine (CID 91421970) is 3,4-dibutyl-1H-pyrrol-2-amine.
What is the SMILES notation for 3,4-dibutyl-1H-pyrrol-2-amine?
The canonical SMILES for 3,4-dibutyl-1H-pyrrol-2-amine is CCCCc1c[nH]c(N)c1CCCC.
What is the InChIKey of 3,4-dibutyl-1H-pyrrol-2-amine?
The InChIKey is QCXSTIZFEUDVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-3-5-7-10-9-14-12(13)11(10)8-6-4-2/h9,14H,3-8,13H2,1-2H3.
What are the key properties of 3,4-dibutyl-1H-pyrrol-2-amine?
3,4-dibutyl-1H-pyrrol-2-amine has a molecular weight of 194.32 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibutyl-1H-pyrrol-2-amine is sourced from PubChem (CID 91421970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).