5-butyl-3-iminoisoindol-1-amine

C12H15N3 — CID 70658508

IUPAC5-butyl-3-iminoisoindol-1-amine
SMILES[H]/N=C1\N=C(N)c2ccc(CCCC)cc21
InChIInChI=1S/C12H15N3/c1-2-3-4-8-5-6-9-10(7-8)12(14)15-11(9)13/h5-7H,2-4H2,1H3,(H3,13,14,15)
InChIKeyBVSJMRBOPMHVTA-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.07
Rot. Bonds3

About 5-butyl-3-iminoisoindol-1-amine

5-butyl-3-iminoisoindol-1-amine (PubChem CID 70658508) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 5-butyl-3-iminoisoindol-1-amine.

Molecular Properties

Compound Name5-butyl-3-iminoisoindol-1-amine
PubChem CID70658508
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name5-butyl-3-iminoisoindol-1-amine
SMILES[H]/N=C1\N=C(N)c2ccc(CCCC)cc21
InChIInChI=1S/C12H15N3/c1-2-3-4-8-5-6-9-10(7-8)12(14)15-11(9)13/h5-7H,2-4H2,1H3,(H3,13,14,15)
InChIKeyBVSJMRBOPMHVTA-UHFFFAOYSA-N
XLogP2.07
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(1-amino-3-iminoisoindol-5-yl)methanethiol
CID 155714870
ethane;3-iminobenzo[f]isoindol-1-amine;propane
CID 91220284
5-decylsulfanyl-1-iminobenzo[f]isoindol-3-amine
CID 139681303
3-(4-butylphenyl)iminoisoindol-1-amine
CID 19154442
(2-butylfluoren-9-ylidene)hydrazine
CID 162724220
2-bromo-5-butylaniline
CID 130156190
1-[4-[[1-amino-9-(3-butylphenyl)-6-fluoro-3-iminobenzo[f]isoindol-8-yl]amino]phenyl]pentan-2-one
CID 162478556
4-butyl-2-(5-butyl-2-nitrosophenyl)-1-nitrosobenzene
CID 121286154
6-chloro-3-iminobenzo[f]isoindol-1-amine
CID 19991336
CID 102084661
CID 102084661
2-butyl-6-propylnaphthalene
CID 58232616
4-butyl-2-(5-butyl-2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 69470587

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-iminoisoindol-1-amine?
The IUPAC name of 5-butyl-3-iminoisoindol-1-amine (CID 70658508) is 5-butyl-3-iminoisoindol-1-amine.
What is the SMILES notation for 5-butyl-3-iminoisoindol-1-amine?
The canonical SMILES for 5-butyl-3-iminoisoindol-1-amine is [H]/N=C1\N=C(N)c2ccc(CCCC)cc21.
What is the InChIKey of 5-butyl-3-iminoisoindol-1-amine?
The InChIKey is BVSJMRBOPMHVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-2-3-4-8-5-6-9-10(7-8)12(14)15-11(9)13/h5-7H,2-4H2,1H3,(H3,13,14,15).
What are the key properties of 5-butyl-3-iminoisoindol-1-amine?
5-butyl-3-iminoisoindol-1-amine has a molecular weight of 201.27 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-iminoisoindol-1-amine is sourced from PubChem (CID 70658508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).