(3S,3aR)-3-methyl-N-propan-2-yl-1,2,3,4,5,6,7,7a-octahydroinden-3a-amine

C13H25N — CID 130224974

IUPAC(3S,3aR)-3-methyl-N-propan-2-yl-1,2,3,4,5,6,7,7a-octahydroinden-3a-amine
SMILESCC(C)N[C@@]12CCCCC1CC[C@@H]2C
InChIInChI=1S/C13H25N/c1-10(2)14-13-9-5-4-6-12(13)8-7-11(13)3/h10-12,14H,4-9H2,1-3H3/t11-,12?,13+/m0/s1
InChIKeyHZLOHAXVHAZZOW-IAMFDIQRSA-N
MW195.35 g/mol
LogP3.34
Rot. Bonds2

About (3S,3aR)-3-methyl-N-propan-2-yl-1,2,3,4,5,6,7,7a-octahydroinden-3a-amine

(3S,3aR)-3-methyl-N-propan-2-yl-1,2,3,4,5,6,7,7a-octahydroinden-3a-amine (PubChem CID 130224974) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is (3S,3aR)-3-methyl-N-propan-2-yl-1,2,3,4,5,6,7,7a-octahydroinden-3a-amine.

Molecular Properties

Compound Name(3S,3aR)-3-methyl-N-propan-2-yl-1,2,3,4,5,6,7,7a-octahydroinden-3a-amine
PubChem CID130224974
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name(3S,3aR)-3-methyl-N-propan-2-yl-1,2,3,4,5,6,7,7a-octahydroinden-3a-amine
SMILESCC(C)N[C@@]12CCCCC1CC[C@@H]2C
InChIInChI=1S/C13H25N/c1-10(2)14-13-9-5-4-6-12(13)8-7-11(13)3/h10-12,14H,4-9H2,1-3H3/t11-,12?,13+/m0/s1
InChIKeyHZLOHAXVHAZZOW-IAMFDIQRSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S,3aR)-3-methyl-N-propan-2-yl-1,2,3,4,5,6,7,7a-octahydroinden-3a-amine?
The IUPAC name of (3S,3aR)-3-methyl-N-propan-2-yl-1,2,3,4,5,6,7,7a-octahydroinden-3a-amine (CID 130224974) is (3S,3aR)-3-methyl-N-propan-2-yl-1,2,3,4,5,6,7,7a-octahydroinden-3a-amine.
What is the SMILES notation for (3S,3aR)-3-methyl-N-propan-2-yl-1,2,3,4,5,6,7,7a-octahydroinden-3a-amine?
The canonical SMILES for (3S,3aR)-3-methyl-N-propan-2-yl-1,2,3,4,5,6,7,7a-octahydroinden-3a-amine is CC(C)N[C@@]12CCCCC1CC[C@@H]2C.
What is the InChIKey of (3S,3aR)-3-methyl-N-propan-2-yl-1,2,3,4,5,6,7,7a-octahydroinden-3a-amine?
The InChIKey is HZLOHAXVHAZZOW-IAMFDIQRSA-N. The full InChI is InChI=1S/C13H25N/c1-10(2)14-13-9-5-4-6-12(13)8-7-11(13)3/h10-12,14H,4-9H2,1-3H3/t11-,12?,13+/m0/s1.
What are the key properties of (3S,3aR)-3-methyl-N-propan-2-yl-1,2,3,4,5,6,7,7a-octahydroinden-3a-amine?
(3S,3aR)-3-methyl-N-propan-2-yl-1,2,3,4,5,6,7,7a-octahydroinden-3a-amine has a molecular weight of 195.35 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aR)-3-methyl-N-propan-2-yl-1,2,3,4,5,6,7,7a-octahydroinden-3a-amine is sourced from PubChem (CID 130224974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).