[(1S,4R,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-yl]-methylazanide

C16H28N- — CID 163131420

IUPAC[(1S,4R,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-yl]-methylazanide
SMILESC[N-][C@@]1(C)CC[C@H](C(C)C)[C@@H]2C=C(C)CC[C@@H]21
InChIInChI=1S/C16H28N/c1-11(2)13-8-9-16(4,17-5)15-7-6-12(3)10-14(13)15/h10-11,13-15H,6-9H2,1-5H3/q-1/t13-,14+,15+,16+/m1/s1
InChIKeyTWOMIDLKHPZVKD-UGUYLWEFSA-N
MW234.41 g/mol
LogP4.79
Rot. Bonds2

About [(1S,4R,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-yl]-methylazanide

[(1S,4R,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-yl]-methylazanide (PubChem CID 163131420) has the molecular formula C16H28N- and a molecular weight of 234.41 g/mol. Its IUPAC name is [(1S,4R,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-yl]-methylazanide.

Molecular Properties

Compound Name[(1S,4R,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-yl]-methylazanide
PubChem CID163131420
Molecular FormulaC16H28N-
Molecular Weight234.41 g/mol
Exact Mass234.22
IUPAC Name[(1S,4R,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-yl]-methylazanide
SMILESC[N-][C@@]1(C)CC[C@H](C(C)C)[C@@H]2C=C(C)CC[C@@H]21
InChIInChI=1S/C16H28N/c1-11(2)13-8-9-16(4,17-5)15-7-6-12(3)10-14(13)15/h10-11,13-15H,6-9H2,1-5H3/q-1/t13-,14+,15+,16+/m1/s1
InChIKeyTWOMIDLKHPZVKD-UGUYLWEFSA-N
XLogP4.79
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.41
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(1S,4R,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-yl]-methylazanide with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1S,4R,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-yl]-methylazanide?
The IUPAC name of [(1S,4R,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-yl]-methylazanide (CID 163131420) is [(1S,4R,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-yl]-methylazanide.
What is the SMILES notation for [(1S,4R,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-yl]-methylazanide?
The canonical SMILES for [(1S,4R,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-yl]-methylazanide is C[N-][C@@]1(C)CC[C@H](C(C)C)[C@@H]2C=C(C)CC[C@@H]21.
What is the InChIKey of [(1S,4R,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-yl]-methylazanide?
The InChIKey is TWOMIDLKHPZVKD-UGUYLWEFSA-N. The full InChI is InChI=1S/C16H28N/c1-11(2)13-8-9-16(4,17-5)15-7-6-12(3)10-14(13)15/h10-11,13-15H,6-9H2,1-5H3/q-1/t13-,14+,15+,16+/m1/s1.
What are the key properties of [(1S,4R,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-yl]-methylazanide?
[(1S,4R,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-yl]-methylazanide has a molecular weight of 234.41 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4R,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-yl]-methylazanide is sourced from PubChem (CID 163131420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).