(1S,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.1.0]heptane

C10H19N — CID 158471466

IUPAC(1S,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.1.0]heptane
SMILESCC(C)C1C[C@@H]2C[C@@H]2CN1C
InChIInChI=1S/C10H19N/c1-7(2)10-5-8-4-9(8)6-11(10)3/h7-10H,4-6H2,1-3H3/t8-,9+,10?/m0/s1
InChIKeyVMFPRZLYHOFVCQ-QIIDTADFSA-N
MW153.27 g/mol
LogP1.98
Rot. Bonds1

About (1S,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.1.0]heptane

(1S,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.1.0]heptane (PubChem CID 158471466) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (1S,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1S,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.1.0]heptane
PubChem CID158471466
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(1S,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.1.0]heptane
SMILESCC(C)C1C[C@@H]2C[C@@H]2CN1C
InChIInChI=1S/C10H19N/c1-7(2)10-5-8-4-9(8)6-11(10)3/h7-10H,4-6H2,1-3H3/t8-,9+,10?/m0/s1
InChIKeyVMFPRZLYHOFVCQ-QIIDTADFSA-N
XLogP1.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.1.0]heptane?
The IUPAC name of (1S,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.1.0]heptane (CID 158471466) is (1S,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.1.0]heptane.
What is the SMILES notation for (1S,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.1.0]heptane?
The canonical SMILES for (1S,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.1.0]heptane is CC(C)C1C[C@@H]2C[C@@H]2CN1C.
What is the InChIKey of (1S,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.1.0]heptane?
The InChIKey is VMFPRZLYHOFVCQ-QIIDTADFSA-N. The full InChI is InChI=1S/C10H19N/c1-7(2)10-5-8-4-9(8)6-11(10)3/h7-10H,4-6H2,1-3H3/t8-,9+,10?/m0/s1.
What are the key properties of (1S,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.1.0]heptane?
(1S,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.1.0]heptane has a molecular weight of 153.27 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S)-3-methyl-4-propan-2-yl-3-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 158471466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).