(1R)-5-iodo-1,2,3,4-tetrahydronaphthalene-1,8-diamine

C10H13IN2 — CID 130706367

IUPAC(1R)-5-iodo-1,2,3,4-tetrahydronaphthalene-1,8-diamine
SMILESNc1ccc(I)c2c1[C@H](N)CCC2
InChIInChI=1S/C10H13IN2/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h4-5,8H,1-3,12-13H2/t8-/m1/s1
InChIKeyMXWDAWSJZCWXNO-MRVPVSSYSA-N
MW288.13 g/mol
LogP2.21
Rot. Bonds

About (1R)-5-iodo-1,2,3,4-tetrahydronaphthalene-1,8-diamine

(1R)-5-iodo-1,2,3,4-tetrahydronaphthalene-1,8-diamine (PubChem CID 130706367) has the molecular formula C10H13IN2 and a molecular weight of 288.13 g/mol. Its IUPAC name is (1R)-5-iodo-1,2,3,4-tetrahydronaphthalene-1,8-diamine.

Molecular Properties

Compound Name(1R)-5-iodo-1,2,3,4-tetrahydronaphthalene-1,8-diamine
PubChem CID130706367
Molecular FormulaC10H13IN2
Molecular Weight288.13 g/mol
Exact Mass288.01
IUPAC Name(1R)-5-iodo-1,2,3,4-tetrahydronaphthalene-1,8-diamine
SMILESNc1ccc(I)c2c1[C@H](N)CCC2
InChIInChI=1S/C10H13IN2/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h4-5,8H,1-3,12-13H2/t8-/m1/s1
InChIKeyMXWDAWSJZCWXNO-MRVPVSSYSA-N
XLogP2.21
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-8-fluoro-1,2,3,4-tetrahydronaphthalene-1,5-diamine
CID 131072460
(1R)-8-iodo-6-methyl-1,2,3,4-tetrahydronaphthalene-1,5-diamine
CID 130692932
(8R)-4,8-diamino-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
CID 130631682
(1S)-8-bromo-7-iodo-1,2,3,4-tetrahydronaphthalen-1-amine
CID 131151177
(1S)-5-iodo-7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 130624371
(4R)-8-methyl-3,4-dihydro-2H-chromene-4,5-diamine;hydrochloride
CID 171252405
1,4-dibromo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62736180
6-iodo-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 71738002
3-iodo-4,5,6,7-tetrahydro-1H-indazol-7-amine
CID 155973791
(1R)-5-ethyl-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine
CID 130691697
(5-amino-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methanol
CID 130044029
(1R)-5-bromo-8-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 130985321

Frequently Asked Questions

What is the IUPAC name of (1R)-5-iodo-1,2,3,4-tetrahydronaphthalene-1,8-diamine?
The IUPAC name of (1R)-5-iodo-1,2,3,4-tetrahydronaphthalene-1,8-diamine (CID 130706367) is (1R)-5-iodo-1,2,3,4-tetrahydronaphthalene-1,8-diamine.
What is the SMILES notation for (1R)-5-iodo-1,2,3,4-tetrahydronaphthalene-1,8-diamine?
The canonical SMILES for (1R)-5-iodo-1,2,3,4-tetrahydronaphthalene-1,8-diamine is Nc1ccc(I)c2c1[C@H](N)CCC2.
What is the InChIKey of (1R)-5-iodo-1,2,3,4-tetrahydronaphthalene-1,8-diamine?
The InChIKey is MXWDAWSJZCWXNO-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13IN2/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h4-5,8H,1-3,12-13H2/t8-/m1/s1.
What are the key properties of (1R)-5-iodo-1,2,3,4-tetrahydronaphthalene-1,8-diamine?
(1R)-5-iodo-1,2,3,4-tetrahydronaphthalene-1,8-diamine has a molecular weight of 288.13 g/mol, XLogP of 2.21, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5-iodo-1,2,3,4-tetrahydronaphthalene-1,8-diamine is sourced from PubChem (CID 130706367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).