(8R)-4,8-diamino-5,6,7,8-tetrahydronaphthalene-1-carbonitrile

C11H13N3 — CID 130631682

IUPAC(8R)-4,8-diamino-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
SMILESN#Cc1ccc(N)c2c1[C@H](N)CCC2
InChIInChI=1S/C11H13N3/c12-6-7-4-5-9(13)8-2-1-3-10(14)11(7)8/h4-5,10H,1-3,13-14H2/t10-/m1/s1
InChIKeyUZLVNTVAKCCGKX-SNVBAGLBSA-N
MW187.25 g/mol
LogP1.48
Rot. Bonds

About (8R)-4,8-diamino-5,6,7,8-tetrahydronaphthalene-1-carbonitrile

(8R)-4,8-diamino-5,6,7,8-tetrahydronaphthalene-1-carbonitrile (PubChem CID 130631682) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is (8R)-4,8-diamino-5,6,7,8-tetrahydronaphthalene-1-carbonitrile.

Molecular Properties

Compound Name(8R)-4,8-diamino-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
PubChem CID130631682
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name(8R)-4,8-diamino-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
SMILESN#Cc1ccc(N)c2c1[C@H](N)CCC2
InChIInChI=1S/C11H13N3/c12-6-7-4-5-9(13)8-2-1-3-10(14)11(7)8/h4-5,10H,1-3,13-14H2/t10-/m1/s1
InChIKeyUZLVNTVAKCCGKX-SNVBAGLBSA-N
XLogP1.48
TPSA75.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-8-fluoro-1,2,3,4-tetrahydronaphthalene-1,5-diamine
CID 131072460
(8S)-8-amino-1-methyl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 131010416
(1R)-5-iodo-1,2,3,4-tetrahydronaphthalene-1,8-diamine
CID 130706367
3,5-diamino-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
CID 130044058
(3S)-3,7-diamino-6-methyl-2,3-dihydro-1H-indene-4-carbonitrile
CID 130654199
(3S)-3-amino-4-fluoro-2,3-dihydro-1H-indene-5-carbonitrile
CID 131071329
4-amino-8-iodo-3,4-dihydro-2H-chromene-5-carbonitrile
CID 130044531
(1R)-1,6-diamino-7-chloro-2,3-dihydro-1H-indene-5-carbonitrile
CID 130691416
(4R)-4-amino-1,2,3,4-tetrahydroquinoline-5-carbonitrile
CID 131137733
1-amino-4-fluoro-2,3-dihydro-1H-indene-5-carbonitrile
CID 55292008
(1S)-1-amino-4-methyl-2,3-dihydro-1H-indene-5-carbonitrile
CID 59461618
(1R)-8-iodo-6-methyl-1,2,3,4-tetrahydronaphthalene-1,5-diamine
CID 130692932

Frequently Asked Questions

What is the IUPAC name of (8R)-4,8-diamino-5,6,7,8-tetrahydronaphthalene-1-carbonitrile?
The IUPAC name of (8R)-4,8-diamino-5,6,7,8-tetrahydronaphthalene-1-carbonitrile (CID 130631682) is (8R)-4,8-diamino-5,6,7,8-tetrahydronaphthalene-1-carbonitrile.
What is the SMILES notation for (8R)-4,8-diamino-5,6,7,8-tetrahydronaphthalene-1-carbonitrile?
The canonical SMILES for (8R)-4,8-diamino-5,6,7,8-tetrahydronaphthalene-1-carbonitrile is N#Cc1ccc(N)c2c1[C@H](N)CCC2.
What is the InChIKey of (8R)-4,8-diamino-5,6,7,8-tetrahydronaphthalene-1-carbonitrile?
The InChIKey is UZLVNTVAKCCGKX-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13N3/c12-6-7-4-5-9(13)8-2-1-3-10(14)11(7)8/h4-5,10H,1-3,13-14H2/t10-/m1/s1.
What are the key properties of (8R)-4,8-diamino-5,6,7,8-tetrahydronaphthalene-1-carbonitrile?
(8R)-4,8-diamino-5,6,7,8-tetrahydronaphthalene-1-carbonitrile has a molecular weight of 187.25 g/mol, XLogP of 1.48, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-4,8-diamino-5,6,7,8-tetrahydronaphthalene-1-carbonitrile is sourced from PubChem (CID 130631682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).