(2R,4aR,6R,8aR)-2-N,2-N,6-N,6-N-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,6-diamine

C14H28N2 — CID 125485118

IUPAC(2R,4aR,6R,8aR)-2-N,2-N,6-N,6-N-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,6-diamine
SMILESCN(C)[C@@H]1CC[C@@H]2C[C@H](N(C)C)CC[C@@H]2C1
InChIInChI=1S/C14H28N2/c1-15(2)13-7-5-12-10-14(16(3)4)8-6-11(12)9-13/h11-14H,5-10H2,1-4H3/t11-,12-,13-,14-/m1/s1
InChIKeyOVSOMETVDKFNNR-AAVRWANBSA-N
MW224.39 g/mol
LogP2.45
Rot. Bonds2

About (2R,4aR,6R,8aR)-2-N,2-N,6-N,6-N-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,6-diamine

(2R,4aR,6R,8aR)-2-N,2-N,6-N,6-N-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,6-diamine (PubChem CID 125485118) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is (2R,4aR,6R,8aR)-2-N,2-N,6-N,6-N-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,6-diamine.

Molecular Properties

Compound Name(2R,4aR,6R,8aR)-2-N,2-N,6-N,6-N-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,6-diamine
PubChem CID125485118
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name(2R,4aR,6R,8aR)-2-N,2-N,6-N,6-N-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,6-diamine
SMILESCN(C)[C@@H]1CC[C@@H]2C[C@H](N(C)C)CC[C@@H]2C1
InChIInChI=1S/C14H28N2/c1-15(2)13-7-5-12-10-14(16(3)4)8-6-11(12)9-13/h11-14H,5-10H2,1-4H3/t11-,12-,13-,14-/m1/s1
InChIKeyOVSOMETVDKFNNR-AAVRWANBSA-N
XLogP2.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R,4aR,6R,8aR)-2-N,2-N,6-N,6-N-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,4aR,6R,8aR)-2-N,2-N,6-N,6-N-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,6-diamine?
The IUPAC name of (2R,4aR,6R,8aR)-2-N,2-N,6-N,6-N-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,6-diamine (CID 125485118) is (2R,4aR,6R,8aR)-2-N,2-N,6-N,6-N-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,6-diamine.
What is the SMILES notation for (2R,4aR,6R,8aR)-2-N,2-N,6-N,6-N-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,6-diamine?
The canonical SMILES for (2R,4aR,6R,8aR)-2-N,2-N,6-N,6-N-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,6-diamine is CN(C)[C@@H]1CC[C@@H]2C[C@H](N(C)C)CC[C@@H]2C1.
What is the InChIKey of (2R,4aR,6R,8aR)-2-N,2-N,6-N,6-N-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,6-diamine?
The InChIKey is OVSOMETVDKFNNR-AAVRWANBSA-N. The full InChI is InChI=1S/C14H28N2/c1-15(2)13-7-5-12-10-14(16(3)4)8-6-11(12)9-13/h11-14H,5-10H2,1-4H3/t11-,12-,13-,14-/m1/s1.
What are the key properties of (2R,4aR,6R,8aR)-2-N,2-N,6-N,6-N-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,6-diamine?
(2R,4aR,6R,8aR)-2-N,2-N,6-N,6-N-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,6-diamine has a molecular weight of 224.39 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aR,6R,8aR)-2-N,2-N,6-N,6-N-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,6-diamine is sourced from PubChem (CID 125485118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).