N-[[2-[(5,5-dimethyloxolan-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine

C19H35NO — CID 116523635

IUPACN-[[2-[(5,5-dimethyloxolan-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(CC2CCC(C)(C)O2)CC2CCC1C2
InChIInChI=1S/C19H35NO/c1-17(2,3)20-13-19(11-14-6-7-15(19)10-14)12-16-8-9-18(4,5)21-16/h14-16,20H,6-13H2,1-5H3
InChIKeyPSMJJJJTLXVYIN-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.53
Rot. Bonds4

About N-[[2-[(5,5-dimethyloxolan-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine

N-[[2-[(5,5-dimethyloxolan-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine (PubChem CID 116523635) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is N-[[2-[(5,5-dimethyloxolan-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-[(5,5-dimethyloxolan-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine
PubChem CID116523635
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC NameN-[[2-[(5,5-dimethyloxolan-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(CC2CCC(C)(C)O2)CC2CCC1C2
InChIInChI=1S/C19H35NO/c1-17(2,3)20-13-19(11-14-6-7-15(19)10-14)12-16-8-9-18(4,5)21-16/h14-16,20H,6-13H2,1-5H3
InChIKeyPSMJJJJTLXVYIN-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5,5-dimethyloxolan-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-[(5,5-dimethyloxolan-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine (CID 116523635) is N-[[2-[(5,5-dimethyloxolan-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-[(5,5-dimethyloxolan-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-[(5,5-dimethyloxolan-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1(CC2CCC(C)(C)O2)CC2CCC1C2.
What is the InChIKey of N-[[2-[(5,5-dimethyloxolan-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine?
The InChIKey is PSMJJJJTLXVYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-17(2,3)20-13-19(11-14-6-7-15(19)10-14)12-16-8-9-18(4,5)21-16/h14-16,20H,6-13H2,1-5H3.
What are the key properties of N-[[2-[(5,5-dimethyloxolan-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine?
N-[[2-[(5,5-dimethyloxolan-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine has a molecular weight of 293.50 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(5,5-dimethyloxolan-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 116523635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).