(1S,4R,9R,10S,13S)-5,5,9,13-tetramethyl-14-azatetracyclo[11.2.1.01,10.04,9]hexadecane

C19H33N — CID 23657385

IUPAC(1S,4R,9R,10S,13S)-5,5,9,13-tetramethyl-14-azatetracyclo[11.2.1.01,10.04,9]hexadecane
SMILESCC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13CN[C@@](C)(CC[C@H]12)C3
InChIInChI=1S/C19H33N/c1-16(2)8-5-9-18(4)14(16)7-11-19-12-17(3,20-13-19)10-6-15(18)19/h14-15,20H,5-13H2,1-4H3/t14-,15+,17+,18-,19-/m1/s1
InChIKeyHSSCQGLDQWBVCM-UWAKZDDMSA-N
MW275.48 g/mol
LogP4.76
Rot. Bonds

About (1S,4R,9R,10S,13S)-5,5,9,13-tetramethyl-14-azatetracyclo[11.2.1.01,10.04,9]hexadecane

(1S,4R,9R,10S,13S)-5,5,9,13-tetramethyl-14-azatetracyclo[11.2.1.01,10.04,9]hexadecane (PubChem CID 23657385) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is (1S,4R,9R,10S,13S)-5,5,9,13-tetramethyl-14-azatetracyclo[11.2.1.01,10.04,9]hexadecane.

Molecular Properties

Compound Name(1S,4R,9R,10S,13S)-5,5,9,13-tetramethyl-14-azatetracyclo[11.2.1.01,10.04,9]hexadecane
PubChem CID23657385
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name(1S,4R,9R,10S,13S)-5,5,9,13-tetramethyl-14-azatetracyclo[11.2.1.01,10.04,9]hexadecane
SMILESCC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13CN[C@@](C)(CC[C@H]12)C3
InChIInChI=1S/C19H33N/c1-16(2)8-5-9-18(4)14(16)7-11-19-12-17(3,20-13-19)10-6-15(18)19/h14-15,20H,5-13H2,1-4H3/t14-,15+,17+,18-,19-/m1/s1
InChIKeyHSSCQGLDQWBVCM-UWAKZDDMSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.48
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methane;bis((1R,9R,13R)-5,5,9,13-tetramethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane)
CID 158642735
(1S,4R,9S,10S,13R,14R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecan-14-ol
CID 162952057
(1R,4S,9S,10S,13S,14R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecan-14-ol
CID 22295571
(4R,9R,10R,14S)-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-14-ol
CID 5318783
(1S,4R,9R,10R,13R,14R)-14-(chloromethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-14-ol
CID 101021524
(2R,4aR,4bS,8aS,10aR)-2,4b,8,8-tetramethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-2,10a-diol
CID 53236772
(1S,9R,10R,13R)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane
CID 16667389
(1R,4R,9S,10R,13S)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane
CID 59445821
5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane
CID 520687
(4aS,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthrene
CID 162890936
(1S,4R,9R,10R,12R)-5,5,9-trimethyl-13-methylidenetetracyclo[10.2.2.01,10.04,9]hexadecane
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(3aS,5aS,9aR,9bS)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran
CID 12838595

Frequently Asked Questions

What is the IUPAC name of (1S,4R,9R,10S,13S)-5,5,9,13-tetramethyl-14-azatetracyclo[11.2.1.01,10.04,9]hexadecane?
The IUPAC name of (1S,4R,9R,10S,13S)-5,5,9,13-tetramethyl-14-azatetracyclo[11.2.1.01,10.04,9]hexadecane (CID 23657385) is (1S,4R,9R,10S,13S)-5,5,9,13-tetramethyl-14-azatetracyclo[11.2.1.01,10.04,9]hexadecane.
What is the SMILES notation for (1S,4R,9R,10S,13S)-5,5,9,13-tetramethyl-14-azatetracyclo[11.2.1.01,10.04,9]hexadecane?
The canonical SMILES for (1S,4R,9R,10S,13S)-5,5,9,13-tetramethyl-14-azatetracyclo[11.2.1.01,10.04,9]hexadecane is CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13CN[C@@](C)(CC[C@H]12)C3.
What is the InChIKey of (1S,4R,9R,10S,13S)-5,5,9,13-tetramethyl-14-azatetracyclo[11.2.1.01,10.04,9]hexadecane?
The InChIKey is HSSCQGLDQWBVCM-UWAKZDDMSA-N. The full InChI is InChI=1S/C19H33N/c1-16(2)8-5-9-18(4)14(16)7-11-19-12-17(3,20-13-19)10-6-15(18)19/h14-15,20H,5-13H2,1-4H3/t14-,15+,17+,18-,19-/m1/s1.
What are the key properties of (1S,4R,9R,10S,13S)-5,5,9,13-tetramethyl-14-azatetracyclo[11.2.1.01,10.04,9]hexadecane?
(1S,4R,9R,10S,13S)-5,5,9,13-tetramethyl-14-azatetracyclo[11.2.1.01,10.04,9]hexadecane has a molecular weight of 275.48 g/mol, XLogP of 4.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,9R,10S,13S)-5,5,9,13-tetramethyl-14-azatetracyclo[11.2.1.01,10.04,9]hexadecane is sourced from PubChem (CID 23657385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).