N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-methylprop-2-en-1-amine

C15H28N2 — CID 176632075

IUPACN-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-methylprop-2-en-1-amine
SMILESC=CCN(C)C[C@@]12C[C@@H](C)N(C(C)(C)C)[C@@H]1C2
InChIInChI=1S/C15H28N2/c1-7-8-16(6)11-15-9-12(2)17(13(15)10-15)14(3,4)5/h7,12-13H,1,8-11H2,2-6H3/t12-,13-,15+/m1/s1
InChIKeyUWPJACPIQUJHRR-NFAWXSAZSA-N
MW236.40 g/mol
LogP2.76
Rot. Bonds4

About N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-methylprop-2-en-1-amine

N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-methylprop-2-en-1-amine (PubChem CID 176632075) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-methylprop-2-en-1-amine
PubChem CID176632075
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC NameN-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-methylprop-2-en-1-amine
SMILESC=CCN(C)C[C@@]12C[C@@H](C)N(C(C)(C)C)[C@@H]1C2
InChIInChI=1S/C15H28N2/c1-7-8-16(6)11-15-9-12(2)17(13(15)10-15)14(3,4)5/h7,12-13H,1,8-11H2,2-6H3/t12-,13-,15+/m1/s1
InChIKeyUWPJACPIQUJHRR-NFAWXSAZSA-N
XLogP2.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-methylprop-2-en-1-amine?
The IUPAC name of N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-methylprop-2-en-1-amine (CID 176632075) is N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-methylprop-2-en-1-amine.
What is the SMILES notation for N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-methylprop-2-en-1-amine?
The canonical SMILES for N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-methylprop-2-en-1-amine is C=CCN(C)C[C@@]12C[C@@H](C)N(C(C)(C)C)[C@@H]1C2.
What is the InChIKey of N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-methylprop-2-en-1-amine?
The InChIKey is UWPJACPIQUJHRR-NFAWXSAZSA-N. The full InChI is InChI=1S/C15H28N2/c1-7-8-16(6)11-15-9-12(2)17(13(15)10-15)14(3,4)5/h7,12-13H,1,8-11H2,2-6H3/t12-,13-,15+/m1/s1.
What are the key properties of N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-methylprop-2-en-1-amine?
N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-methylprop-2-en-1-amine has a molecular weight of 236.40 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-N-methylprop-2-en-1-amine is sourced from PubChem (CID 176632075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).