N,3,3-trimethyltetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),7,11(15),12-pentaen-5-amine

C18H21N — CID 114939791

IUPACN,3,3-trimethyltetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),7,11(15),12-pentaen-5-amine
SMILESCNC1CC(C)(C)c2c1cc1c3c(cccc23)CC1
InChIInChI=1S/C18H21N/c1-18(2)10-15(19-3)14-9-12-8-7-11-5-4-6-13(16(11)12)17(14)18/h4-6,9,15,19H,7-8,10H2,1-3H3
InChIKeyFLQKHNJHXVESPQ-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.88
Rot. Bonds1

About N,3,3-trimethyltetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),7,11(15),12-pentaen-5-amine

N,3,3-trimethyltetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),7,11(15),12-pentaen-5-amine (PubChem CID 114939791) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is N,3,3-trimethyltetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),7,11(15),12-pentaen-5-amine.

Molecular Properties

Compound NameN,3,3-trimethyltetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),7,11(15),12-pentaen-5-amine
PubChem CID114939791
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC NameN,3,3-trimethyltetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),7,11(15),12-pentaen-5-amine
SMILESCNC1CC(C)(C)c2c1cc1c3c(cccc23)CC1
InChIInChI=1S/C18H21N/c1-18(2)10-15(19-3)14-9-12-8-7-11-5-4-6-13(16(11)12)17(14)18/h4-6,9,15,19H,7-8,10H2,1-3H3
InChIKeyFLQKHNJHXVESPQ-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyltetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),7,11(15),12-pentaen-5-amine?
The IUPAC name of N,3,3-trimethyltetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),7,11(15),12-pentaen-5-amine (CID 114939791) is N,3,3-trimethyltetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),7,11(15),12-pentaen-5-amine.
What is the SMILES notation for N,3,3-trimethyltetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),7,11(15),12-pentaen-5-amine?
The canonical SMILES for N,3,3-trimethyltetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),7,11(15),12-pentaen-5-amine is CNC1CC(C)(C)c2c1cc1c3c(cccc23)CC1.
What is the InChIKey of N,3,3-trimethyltetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),7,11(15),12-pentaen-5-amine?
The InChIKey is FLQKHNJHXVESPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-18(2)10-15(19-3)14-9-12-8-7-11-5-4-6-13(16(11)12)17(14)18/h4-6,9,15,19H,7-8,10H2,1-3H3.
What are the key properties of N,3,3-trimethyltetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),7,11(15),12-pentaen-5-amine?
N,3,3-trimethyltetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),7,11(15),12-pentaen-5-amine has a molecular weight of 251.37 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyltetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),7,11(15),12-pentaen-5-amine is sourced from PubChem (CID 114939791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).