(7S)-N-methyl-N-propan-2-yl-5-azaspiro[2.4]heptan-7-amine

C10H20N2 — CID 163654338

IUPAC(7S)-N-methyl-N-propan-2-yl-5-azaspiro[2.4]heptan-7-amine
SMILESCC(C)N(C)[C@@H]1CNCC12CC2
InChIInChI=1S/C10H20N2/c1-8(2)12(3)9-6-11-7-10(9)4-5-10/h8-9,11H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyIOWKFBJKJZJIJO-SECBINFHSA-N
MW168.28 g/mol
LogP1.08
Rot. Bonds2

About (7S)-N-methyl-N-propan-2-yl-5-azaspiro[2.4]heptan-7-amine

(7S)-N-methyl-N-propan-2-yl-5-azaspiro[2.4]heptan-7-amine (PubChem CID 163654338) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (7S)-N-methyl-N-propan-2-yl-5-azaspiro[2.4]heptan-7-amine.

Molecular Properties

Compound Name(7S)-N-methyl-N-propan-2-yl-5-azaspiro[2.4]heptan-7-amine
PubChem CID163654338
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(7S)-N-methyl-N-propan-2-yl-5-azaspiro[2.4]heptan-7-amine
SMILESCC(C)N(C)[C@@H]1CNCC12CC2
InChIInChI=1S/C10H20N2/c1-8(2)12(3)9-6-11-7-10(9)4-5-10/h8-9,11H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyIOWKFBJKJZJIJO-SECBINFHSA-N
XLogP1.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7S)-N-methyl-N-propan-2-yl-5-azaspiro[2.4]heptan-7-amine?
The IUPAC name of (7S)-N-methyl-N-propan-2-yl-5-azaspiro[2.4]heptan-7-amine (CID 163654338) is (7S)-N-methyl-N-propan-2-yl-5-azaspiro[2.4]heptan-7-amine.
What is the SMILES notation for (7S)-N-methyl-N-propan-2-yl-5-azaspiro[2.4]heptan-7-amine?
The canonical SMILES for (7S)-N-methyl-N-propan-2-yl-5-azaspiro[2.4]heptan-7-amine is CC(C)N(C)[C@@H]1CNCC12CC2.
What is the InChIKey of (7S)-N-methyl-N-propan-2-yl-5-azaspiro[2.4]heptan-7-amine?
The InChIKey is IOWKFBJKJZJIJO-SECBINFHSA-N. The full InChI is InChI=1S/C10H20N2/c1-8(2)12(3)9-6-11-7-10(9)4-5-10/h8-9,11H,4-7H2,1-3H3/t9-/m1/s1.
What are the key properties of (7S)-N-methyl-N-propan-2-yl-5-azaspiro[2.4]heptan-7-amine?
(7S)-N-methyl-N-propan-2-yl-5-azaspiro[2.4]heptan-7-amine has a molecular weight of 168.28 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-N-methyl-N-propan-2-yl-5-azaspiro[2.4]heptan-7-amine is sourced from PubChem (CID 163654338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).