(1R,4aR,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,5,6-tetrahydronaphthalene-4a,8a-diamine

C15H26N2 — CID 121420218

IUPAC(1R,4aR,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,5,6-tetrahydronaphthalene-4a,8a-diamine
SMILESCC1=C[C@]2(N)[C@@H](C(C)C)CC=C(C)[C@]2(N)CC1
InChIInChI=1S/C15H26N2/c1-10(2)13-6-5-12(4)14(16)8-7-11(3)9-15(13,14)17/h5,9-10,13H,6-8,16-17H2,1-4H3/t13-,14-,15+/m1/s1
InChIKeyRIJYYEHOHAKPQM-KFWWJZLASA-N
MW234.39 g/mol
LogP2.74
Rot. Bonds1

About (1R,4aR,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,5,6-tetrahydronaphthalene-4a,8a-diamine

(1R,4aR,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,5,6-tetrahydronaphthalene-4a,8a-diamine (PubChem CID 121420218) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is (1R,4aR,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,5,6-tetrahydronaphthalene-4a,8a-diamine.

Molecular Properties

Compound Name(1R,4aR,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,5,6-tetrahydronaphthalene-4a,8a-diamine
PubChem CID121420218
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name(1R,4aR,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,5,6-tetrahydronaphthalene-4a,8a-diamine
SMILESCC1=C[C@]2(N)[C@@H](C(C)C)CC=C(C)[C@]2(N)CC1
InChIInChI=1S/C15H26N2/c1-10(2)13-6-5-12(4)14(16)8-7-11(3)9-15(13,14)17/h5,9-10,13H,6-8,16-17H2,1-4H3/t13-,14-,15+/m1/s1
InChIKeyRIJYYEHOHAKPQM-KFWWJZLASA-N
XLogP2.74
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,4aR,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,5,6-tetrahydronaphthalene-4a,8a-diamine?
The IUPAC name of (1R,4aR,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,5,6-tetrahydronaphthalene-4a,8a-diamine (CID 121420218) is (1R,4aR,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,5,6-tetrahydronaphthalene-4a,8a-diamine.
What is the SMILES notation for (1R,4aR,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,5,6-tetrahydronaphthalene-4a,8a-diamine?
The canonical SMILES for (1R,4aR,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,5,6-tetrahydronaphthalene-4a,8a-diamine is CC1=C[C@]2(N)[C@@H](C(C)C)CC=C(C)[C@]2(N)CC1.
What is the InChIKey of (1R,4aR,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,5,6-tetrahydronaphthalene-4a,8a-diamine?
The InChIKey is RIJYYEHOHAKPQM-KFWWJZLASA-N. The full InChI is InChI=1S/C15H26N2/c1-10(2)13-6-5-12(4)14(16)8-7-11(3)9-15(13,14)17/h5,9-10,13H,6-8,16-17H2,1-4H3/t13-,14-,15+/m1/s1.
What are the key properties of (1R,4aR,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,5,6-tetrahydronaphthalene-4a,8a-diamine?
(1R,4aR,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,5,6-tetrahydronaphthalene-4a,8a-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4aR,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,5,6-tetrahydronaphthalene-4a,8a-diamine is sourced from PubChem (CID 121420218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).