N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-propylpiperidin-4-amine

C16H30N2O — CID 64863107

IUPACN-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NC2C3CCOC3C2(C)C)CC1
InChIInChI=1S/C16H30N2O/c1-4-8-18-9-5-12(6-10-18)17-14-13-7-11-19-15(13)16(14,2)3/h12-15,17H,4-11H2,1-3H3
InChIKeyNVTKLAYUAOYMAJ-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.26
Rot. Bonds4

About N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-propylpiperidin-4-amine

N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-propylpiperidin-4-amine (PubChem CID 64863107) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-propylpiperidin-4-amine
PubChem CID64863107
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NC2C3CCOC3C2(C)C)CC1
InChIInChI=1S/C16H30N2O/c1-4-8-18-9-5-12(6-10-18)17-14-13-7-11-19-15(13)16(14,2)3/h12-15,17H,4-11H2,1-3H3
InChIKeyNVTKLAYUAOYMAJ-UHFFFAOYSA-N
XLogP2.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)piperidin-4-amine
CID 64865569
7,7-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864491
N-(2-methyloxolan-3-yl)-1-propylpiperidin-4-amine
CID 115335615
N-cyclopent-3-en-1-yl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 115906207
7,7-dimethyl-N-propyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 54594844
(1S,5R,6R)-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 95241136
1-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]urea
CID 100898581
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)hydroxylamine
CID 82685302
2,2-dimethyl-3-[(1-propylazepan-4-yl)amino]cyclobutan-1-ol
CID 114629183
7,7-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864093
4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]oxolan-3-ol
CID 115923383
2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-N-propylacetamide
CID 64865245

Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-propylpiperidin-4-amine?
The IUPAC name of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-propylpiperidin-4-amine (CID 64863107) is N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-propylpiperidin-4-amine.
What is the SMILES notation for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-propylpiperidin-4-amine?
The canonical SMILES for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-propylpiperidin-4-amine is CCCN1CCC(NC2C3CCOC3C2(C)C)CC1.
What is the InChIKey of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-propylpiperidin-4-amine?
The InChIKey is NVTKLAYUAOYMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-4-8-18-9-5-12(6-10-18)17-14-13-7-11-19-15(13)16(14,2)3/h12-15,17H,4-11H2,1-3H3.
What are the key properties of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-propylpiperidin-4-amine?
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-propylpiperidin-4-amine has a molecular weight of 266.43 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-propylpiperidin-4-amine is sourced from PubChem (CID 64863107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).