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

C12H22NP — CID 91386748

IUPAC3,4-dibutyl-1H-phosphol-2-amine
SMILESCCCCc1c[pH]c(N)c1CCCC
InChIInChI=1S/C12H22NP/c1-3-5-7-10-9-14-12(13)11(10)8-6-4-2/h9,14H,3-8,13H2,1-2H3
InChIKeySJBQLECRKGNWPB-UHFFFAOYSA-N
MW211.29 g/mol
LogP3.99
Rot. Bonds6

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

3,4-dibutyl-1H-phosphol-2-amine (PubChem CID 91386748) has the molecular formula C12H22NP and a molecular weight of 211.29 g/mol. Its IUPAC name is 3,4-dibutyl-1H-phosphol-2-amine.

Molecular Properties

Compound Name3,4-dibutyl-1H-phosphol-2-amine
PubChem CID91386748
Molecular FormulaC12H22NP
Molecular Weight211.29 g/mol
Exact Mass211.15
IUPAC Name3,4-dibutyl-1H-phosphol-2-amine
SMILESCCCCc1c[pH]c(N)c1CCCC
InChIInChI=1S/C12H22NP/c1-3-5-7-10-9-14-12(13)11(10)8-6-4-2/h9,14H,3-8,13H2,1-2H3
InChIKeySJBQLECRKGNWPB-UHFFFAOYSA-N
XLogP3.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3,4-dibutyl-1H-phosphol-2-yl)phosphane
CID 173084959
1,2,3,4-tetrabutylbenzene
CID 11220391
3,4-dibutyl-1H-pyrrol-2-amine
CID 91421970
3,4-dibutylbenzene-1,2-diamine
CID 18764845
1,2,3,4-tetrabutyl-5-methylbenzene
CID 54311592
1,2,3,4,5,6-hexabutylbenzene
CID 12586860
1,3,4-tributyl-2,5-dimethylbenzene
CID 150402952
CID 159940559
CID 159940559
3,4,5-tributylpyridine
CID 173010708
1,2,3-tributylbenzene;hydrate
CID 172716323
4-(4-amino-2,3,5-tributylphenoxy)-2,3,6-tributylaniline
CID 150650015
5-bromo-4-butyl-2-methylaniline
CID 130538000

Frequently Asked Questions

What is the IUPAC name of 3,4-dibutyl-1H-phosphol-2-amine?
The IUPAC name of 3,4-dibutyl-1H-phosphol-2-amine (CID 91386748) is 3,4-dibutyl-1H-phosphol-2-amine.
What is the SMILES notation for 3,4-dibutyl-1H-phosphol-2-amine?
The canonical SMILES for 3,4-dibutyl-1H-phosphol-2-amine is CCCCc1c[pH]c(N)c1CCCC.
What is the InChIKey of 3,4-dibutyl-1H-phosphol-2-amine?
The InChIKey is SJBQLECRKGNWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22NP/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-phosphol-2-amine?
3,4-dibutyl-1H-phosphol-2-amine has a molecular weight of 211.29 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibutyl-1H-phosphol-2-amine is sourced from PubChem (CID 91386748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).